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Chemical ID: 5635588

Cc1ccc(cc1)S(=O)(=O)N(C)c2ccc(cc2C(=O)c3ccccc3)C

Chemical ID:

5635588

Name [?]:

N-(2-benzoyl-4-methyl-phenyl)-N,4-dimethyl-benzenesulfonamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)N(C)c2ccc(cc2C(=O)c3ccccc3)C

InChi [?]:

InChI=1/C22H21NO3S/c1-16-9-12-19(13-10-16)27(25,26)23(3)21-14-11-17(2)15-20(21)22(24)18-7-5-4-6-8-18/h4-15H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,27,12,24,23,25,22,26,3,7,15,4,6,14,17,2,16,21,5,18,13,19,11,20,9,10,8/E:(5,6)(7,8)(9,10)(12,13)(25,26)/CRV:27.6/rA:27cCCCCCCCSOONCCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s11;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁NO₃S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5497
Area:	525.805
Solvation:	-2.59539
Coulombic:	-19.4465

Bond Count [?]

All:	29
Single:	17
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	379.473
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.71
LogP (Chemaxon):	5.01

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

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Chemical Mix	Source	External ID	Descriptor	Value