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Chemical ID: 7252386

Chemical ID:

7252386

Name [?]:

N-(3-anilinophenyl)-2-methoxy-benzenesulfonamide

SMILES [?]:

COc1ccccc1S(=O)(=O)Nc2cccc(c2)Nc3ccccc3

InChi [?]:

InChI=1/C19H18N2O3S/c1-24-18-12-5-6-13-19(18)25(22,23)21-17-11-7-10-16(14-17)20-15-8-3-2-4-9-15/h2-14,20-21H,1H3

InChi Info:

AuxInfo=1/0/N:1,23,22,24,5,6,15,21,25,16,14,4,7,18,20,17,13,3,8,19,12,10,11,2,9/E:(3,4)(8,9)(22,23)/CRV:25.6/rA:25nCOCCCCCCSOONCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂O₃S
All Atoms:	43
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.8261
Area:	540.414
Solvation:	-3.68425
Coulombic:	-32.5913

Bond Count [?]

All:	27
Single:	16
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	354.424
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.84
LogP (Chemaxon):	3.61

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

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Chemical Mix	Source	External ID	Descriptor	Value