Chemical ID: 3896719

c1ccc2c(c1)CC(C2NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)O
Chemical ID:
3896719
Name [?]:
N-(2-hydroxyindan-1-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide
SMILES [?]:
c1ccc2c(c1)CC(C2NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)O
InChi [?]:
InChI=1/C19H22N2O5S2/c22-18-13-14-5-1-2-6-17(14)19(18)20-27(23,24)15-7-9-16(10-8-15)28(25,26)21-11-3-4-12-21/h1-2,5-10,18-20,22H,3-4,11-13H2
InChi Info:
AuxInfo=1/0/N:1,2,25,26,6,3,15,19,16,18,24,27,7,5,14,17,4,8,9,10,23,28,12,13,21,22,11,20/E:(3,4)(7,8)(9,10)(11,12)(23,24)(25,26)/CRV:27.6,28.6/rA:28cCCCCCCCCCNSOOCCCCCCSOONCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;d20;d20;s20;s23;s24;s25;s23s26;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O5S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:8.84548
Area:544.149
Solvation:-4.75825
Coulombic:-36.4704
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:422.52
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.88
LogP (Chemaxon):1.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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