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Chemical ID: 6181309

c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4ccc(cc4)Cl)O

Chemical ID:

6181309

Name [?]:

4-chloro-N-[4-hydroxy-3-(2-hydroxy-1-naphthyl)-phenyl]-benzenesulfonamide

SMILES [?]:

c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4ccc(cc4)Cl)O

InChi [?]:

InChI=1/C22H16ClNO4S/c23-15-6-9-17(10-7-15)29(27,28)24-16-8-12-20(25)19(13-16)22-18-4-2-1-3-14(18)5-11-21(22)26/h1-13,24-26H

InChi Info:

AuxInfo=1/0/N:1,2,6,3,7,24,26,14,23,27,8,15,12,5,25,13,22,4,11,16,9,10,28,18,17,29,20,21,19/E:(6,7)(9,10)(27,28)/CRV:29.6/rA:29nCCCCCCCCCCCCCCCCONSOOCCCCCCClO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s13;d14;d11s15;s16;s13;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s25;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆ClNO₄S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2303
Area:	585.005
Solvation:	-4.39484
Coulombic:	-46.3865

Bond Count [?]

All:	32
Single:	19
Double:	13
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	425.885
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	4.46
LogP (Chemaxon):	5.24

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