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Chemical ID: 4407787

Chemical ID:

4407787

Name [?]:

4-butoxy-N-(4-chlorophenyl)-benzenesulfonamide

SMILES [?]:

CCCCOc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Cl

InChi [?]:

InChI=1/C16H18ClNO3S/c1-2-3-12-21-15-8-10-16(11-9-15)22(19,20)18-14-6-4-13(17)5-7-14/h4-11,18H,2-3,12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,18,20,17,21,7,11,8,10,4,19,16,6,9,22,15,13,14,5,12/E:(4,5)(6,7)(8,9)(10,11)(19,20)/CRV:22.6/rA:22nCCCCOCCCCCCSOONCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;d12;s12;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈ClNO₃S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.538
Area:	540.949
Solvation:	-2.98569
Coulombic:	-21.3592

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	339.838
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.6
LogP (Chemaxon):	4.08

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