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Chemical ID: 6543227
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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