3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide

C13H18N2O2S — CID 43269699

IUPAC3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H18N2O2S/c1-4-8-15(11(2)3)18(16,17)13-7-5-6-12(9-13)10-14/h5-7,9,11H,4,8H2,1-3H3
InChIKeyYLLPMUXTYQCGGL-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.37
Rot. Bonds5

About 3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide

3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide (PubChem CID 43269699) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
PubChem CID43269699
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H18N2O2S/c1-4-8-15(11(2)3)18(16,17)13-7-5-6-12(9-13)10-14/h5-7,9,11H,4,8H2,1-3H3
InChIKeyYLLPMUXTYQCGGL-UHFFFAOYSA-N
XLogP2.37
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43429214
3-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 47306005
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539740
N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide
CID 62685886
2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide
CID 17471485
3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384532
2-[(3-cyanophenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62034793
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide
CID 78982763
N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide
CID 60540003
3-cyano-N-[(2S)-2-hydroxybutyl]-N-phenylbenzenesulfonamide
CID 95155706

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide?
The IUPAC name of 3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide (CID 43269699) is 3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide is CCCN(C(C)C)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide?
The InChIKey is YLLPMUXTYQCGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-4-8-15(11(2)3)18(16,17)13-7-5-6-12(9-13)10-14/h5-7,9,11H,4,8H2,1-3H3.
What are the key properties of 3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide?
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 43269699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).