N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide

C15H20N2O2S — CID 106833026

IUPACN-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H20N2O2S/c1-3-4-9-17(14-6-7-14)20(18,19)15-8-5-13(11-16)12(2)10-15/h5,8,10,14H,3-4,6-7,9H2,1-2H3
InChIKeyWLWGDOCSNGSKKG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.82
Rot. Bonds6

About N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide

N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide (PubChem CID 106833026) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide
PubChem CID106833026
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H20N2O2S/c1-3-4-9-17(14-6-7-14)20(18,19)15-8-5-13(11-16)12(2)10-15/h5,8,10,14H,3-4,6-7,9H2,1-2H3
InChIKeyWLWGDOCSNGSKKG-UHFFFAOYSA-N
XLogP2.82
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63239480
4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 106833564
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 106833025
3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985
N-cyclopropyl-4-(3-hydroxyprop-1-ynyl)-3-methyl-N-propylbenzenesulfonamide
CID 60844950
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260447
N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260448
N-butyl-N-cyclopropyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 61443459
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide?
The IUPAC name of N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide (CID 106833026) is N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide.
What is the SMILES notation for N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide?
The canonical SMILES for N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide is CCCCN(C1CC1)S(=O)(=O)c1ccc(C#N)c(C)c1.
What is the InChIKey of N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide?
The InChIKey is WLWGDOCSNGSKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-4-9-17(14-6-7-14)20(18,19)15-8-5-13(11-16)12(2)10-15/h5,8,10,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide?
N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide is sourced from PubChem (CID 106833026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).