Chemical ID: 4044986

CCC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2cccc(n2)C
Chemical ID:
4044986
Name [?]:
4-(1,1-dimethylpropyl)-N-(6-methyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
CCC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2cccc(n2)C
InChi [?]:
InChI=1/C17H22N2O2S/c1-5-17(3,4)14-9-11-15(12-10-14)22(20,21)19-16-8-6-7-13(2)18-16/h6-12H,5H2,1-4H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,4,5,2,18,19,17,7,11,8,10,20,6,9,16,3,21,15,13,14,12/E:(3,4)(9,10)(11,12)(20,21)/CRV:22.6/rA:22nCCCCCCCCCCCSOONCCCCCNC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s9;d12;d12;s12;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0922
Area:502.052
Solvation:-2.45912
Coulombic:-18.601
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.435
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.89
LogP (Chemaxon):3.32

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