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Chemical ID: 6759165

COc1ccc(cc1)S(=O)(=O)[N-]c2ccc(cc2)NC(=O)c3ccccc3

Chemical ID:

6759165

Name [?]:

(4-benzamidophenyl)-(4-methoxyphenyl)sulfonyl-azanide

SMILES [?]:

COc1ccc(cc1)S(=O)(=O)[N-]c2ccc(cc2)NC(=O)c3ccccc3

InChi [?]:

InChI=1/C20H17N2O4S/c1-26-18-11-13-19(14-12-18)27(24,25)22-17-9-7-16(8-10-17)21-20(23)15-5-3-2-4-6-15/h2-14H,1H3,(H,21,23)/q-1

InChi Info:

AuxInfo=1/1/N:1,25,24,26,23,27,15,17,14,18,4,8,5,7,22,16,13,3,6,20,19,12,21,10,11,2,9/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25)/CRV:22-1,27.6/rA:27nCOCCCCCCSOON-CCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇N₂O₄S-
All Atoms:	44
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	-21.7682
Area:	598.058
Solvation:	-36.7197
Coulombic:	-3.60483

Bond Count [?]

All:	29
Single:	17
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	381.426
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.44
LogP (Chemaxon):	3.41

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