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Chemical ID: 6530342

Chemical ID:

6530342

Name [?]:

4-chloro-N-(m-tolyl)-N-propyl-benzenesulfonamide

SMILES [?]:

CCCN(c1cccc(c1)C)S(=O)(=O)c2ccc(cc2)Cl

InChi [?]:

InChI=1/C16H18ClNO2S/c1-3-11-18(15-6-4-5-13(2)12-15)21(19,20)16-9-7-14(17)8-10-16/h4-10,12H,3,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,11,2,7,8,6,17,19,16,20,3,10,9,18,5,15,21,4,13,14,12/E:(7,8)(9,10)(19,20)/CRV:21.6/rA:21cCCCNCCCCCCCSOOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s4;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈ClNO₂S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6377
Area:	504.732
Solvation:	-1.98057
Coulombic:	-10.0582

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	323.838
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.12
LogP (Chemaxon):	4.65

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value