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Chemical ID: 5313484

Cc1ccc(c(c1)NS(=O)(=O)c2cc(ccc2C)C(=O)NC(C)c3ccccc3)C

Chemical ID:

5313484

Name [?]:

3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylethyl)benzamide

SMILES [?]:

Cc1ccc(c(c1)NS(=O)(=O)c2cc(ccc2C)C(=O)NC(C)c3ccccc3)C

InChi [?]:

InChI=1/C24H26N2O3S/c1-16-10-11-17(2)22(14-16)26-30(28,29)23-15-21(13-12-18(23)3)24(27)25-19(4)20-8-6-5-7-9-20/h5-15,19,26H,1-4H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,30,18,23,27,26,28,25,29,3,4,16,15,7,13,2,5,17,22,24,14,6,12,19,21,8,20,10,11,9/E:(6,7)(8,9)(28,29)/CRV:30.6/rA:30cCCCCCCCNSOOCCCCCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;s22;s24;d25;s26;d27;d24s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₆N₂O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.6085
Area:	632.611
Solvation:	-3.20679
Coulombic:	-36.271

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	422.541
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.24
LogP (Chemaxon):	5.1

Name Annotations

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

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