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Chemical ID: 4041237

Chemical ID:

4041237

Name [?]:

4-chloro-N-(4-methoxyphenyl)-N-methyl-benzenesulfonamide

SMILES [?]:

CN(c1ccc(cc1)OC)S(=O)(=O)c2ccc(cc2)Cl

InChi [?]:

InChI=1/C14H14ClNO3S/c1-16(12-5-7-13(19-2)8-6-12)20(17,18)14-9-3-11(15)4-10-14/h3-10H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,16,18,4,8,5,7,15,19,17,3,6,14,20,2,12,13,9,11/E:(3,4)(5,6)(7,8)(9,10)(17,18)/CRV:20.6/rA:20cCNCCCCCCOCSOOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s2;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄ClNO₃S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	8.5773
Area:	480.023
Solvation:	-3.42329
Coulombic:	-15.5054

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	311.785
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.82
LogP (Chemaxon):	3.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value