Chemical ID: 6543227

CCCN(CCC)CC(C)(C)NS(=O)(=O)c1ccccc1
Chemical ID:
6543227
Name [?]:
N-(2-dipropylamino-1,1-dimethyl-ethyl)benzenesulfonamide
SMILES [?]:
CCCN(CCC)CC(C)(C)NS(=O)(=O)c1ccccc1
InChi [?]:
InChI=1/C16H28N2O2S/c1-5-12-18(13-6-2)14-16(3,4)17-21(19,20)15-10-8-7-9-11-15/h7-11,17H,5-6,12-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,10,11,2,6,19,18,20,17,21,3,5,8,16,9,12,4,14,15,13/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(19,20)/CRV:21.6/rA:21nCCCNCCCCCCCNSOOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s9;s9;s12;d13;d13;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H28N2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.8171
Area:510.774
Solvation:-1.95227
Coulombic:-19.698
Bond Count [?]
All:21
Single:16
Double:5
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:312.472
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.16
LogP (Chemaxon):2.43

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Descriptor Annotations

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