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Chemical ID: 5333184

Cc1cccc(c1C)NS(=O)(=O)c2cc(ccc2Cl)C(=O)NC(C)c3ccccc3

Chemical ID:

5333184

Name [?]:

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

SMILES [?]:

Cc1cccc(c1C)NS(=O)(=O)c2cc(ccc2Cl)C(=O)NC(C)c3ccccc3

InChi [?]:

InChI=1/C23H23ClN2O3S/c1-15-8-7-11-21(16(15)2)26-30(28,29)22-14-19(12-13-20(22)24)23(27)25-17(3)18-9-5-4-6-10-18/h4-14,17,26H,1-3H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,8,24,28,27,29,4,3,26,30,5,16,17,14,2,7,23,25,15,18,6,13,20,19,22,9,21,11,12,10/E:(5,6)(9,10)(28,29)/CRV:30.6/rA:30cCCCCCCCCNSOOCCCCCCClCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;s22;s23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃ClN₂O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.7896
Area:	649.948
Solvation:	-3.45906
Coulombic:	-35.8192

Bond Count [?]

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

Chemical Properties

Molecular Weight:	442.959
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.64
LogP (Chemaxon):	5.15

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