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Chemical ID: 7339898

Cc1cc(cc(c1)N(CCC(=O)Nc2ccc(c(c2)F)F)S(=O)(=O)c3ccc(cc3)Cl)C

Chemical ID:

7339898

Name [?]:

3-[(4-chlorophenyl)sulfonyl-(3,5-dimethylphenyl)-amino]-N-(3,4-difluorophenyl)-propanamide

SMILES [?]:

Cc1cc(cc(c1)N(CCC(=O)Nc2ccc(c(c2)F)F)S(=O)(=O)c3ccc(cc3)Cl)C

InChi [?]:

InChI=1/C23H21ClF2N2O3S/c1-15-11-16(2)13-19(12-15)28(32(30,31)20-6-3-17(24)4-7-20)10-9-23(29)27-18-5-8-21(25)22(26)14-18/h3-8,11-14H,9-10H2,1-2H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,32,27,29,15,26,30,16,10,9,3,7,5,19,2,4,28,14,6,25,17,18,11,31,21,20,13,8,12,23,24,22/E:(1,2)(3,4)(6,7)(12,13)(15,16)(30,31)/CRV:32.6/rA:32cCCCCCCCNCCCONCCCCCCFFSOOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;s8;d22;d22;s22;s25;d26;s27;d28;d25s29;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁ClF₂N₂O₃S
All Atoms:	53
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.1396
Area:	680.754
Solvation:	-4.87923
Coulombic:	-35.7002

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	478.94
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.99
LogP (Chemaxon):	5.85

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value