Chemical ID: 7432529

c1ccc(cc1)S(=O)(=O)NCC2c3ccccc3CCN2S(=O)(=O)c4ccccc4
Chemical ID:
7432529
Name [?]:
N-[(2-phenylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzenesulfonamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)NCC2c3ccccc3CCN2S(=O)(=O)c4ccccc4
InChi [?]:
InChI=1/C22H22N2O4S2/c25-29(26,19-10-3-1-4-11-19)23-17-22-21-14-8-7-9-18(21)15-16-24(22)30(27,28)20-12-5-2-6-13-20/h1-14,22-23H,15-17H2
InChi Info:
AuxInfo=1/0/N:1,28,2,6,27,29,16,15,17,3,5,26,30,14,19,20,11,18,4,25,13,12,10,21,8,9,23,24,7,22/E:(3,4)(5,6)(10,11)(12,13)(25,26)(27,28)/CRV:29.6,30.6/rA:30cCCCCCCSOONCCCCCCCCCCNSOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s12s20;s21;d22;d22;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O4S2
All Atoms:52
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:11.0546
Area:573.846
Solvation:-3.29159
Coulombic:-23.4577
Bond Count [?]
All:33
Single:20
Double:13
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:442.553
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.43
LogP (Chemaxon):3.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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