Chemical ID: 4041283

CCc1ccc(cc1)S(=O)(=O)N(CC)c2cccc(c2)C
Chemical ID:
4041283
Name [?]:
N,4-diethyl-N-(m-tolyl)benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)N(CC)c2cccc(c2)C
InChi [?]:
InChI=1/C17H21NO2S/c1-4-15-9-11-17(12-10-15)21(19,20)18(5-2)16-8-6-7-14(3)13-16/h6-13H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,21,2,13,17,18,16,4,8,5,7,20,19,3,15,6,12,10,11,9/E:(9,10)(11,12)(19,20)/CRV:21.6/rA:21cCCCCCCCCSOONCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s12;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.7853
Area:500.774
Solvation:-1.73406
Coulombic:-10.1799
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.42
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.04
LogP (Chemaxon):4.53

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Descriptor Annotations

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