4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide

C14H19N3O2S — CID 120724642

IUPAC4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC1CCNCC1C
InChIInChI=1S/C14H19N3O2S/c1-10-7-12(8-15)3-4-14(10)20(18,19)17-13-5-6-16-9-11(13)2/h3-4,7,11,13,16-17H,5-6,9H2,1-2H3
InChIKeyBEPOFOFDLPFGCJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.14
Rot. Bonds3

About 4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide

4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 120724642) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID120724642
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC1CCNCC1C
InChIInChI=1S/C14H19N3O2S/c1-10-7-12(8-15)3-4-14(10)20(18,19)17-13-5-6-16-9-11(13)2/h3-4,7,11,13,16-17H,5-6,9H2,1-2H3
InChIKeyBEPOFOFDLPFGCJ-UHFFFAOYSA-N
XLogP1.14
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
3-chloro-2-cyano-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725253
5-cyano-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685043
4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
CID 103757199
4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 106998698
4-[(4-cyano-2-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 106996515
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998868
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide (CID 120724642) is 4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)NC1CCNCC1C.
What is the InChIKey of 4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is BEPOFOFDLPFGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-7-12(8-15)3-4-14(10)20(18,19)17-13-5-6-16-9-11(13)2/h3-4,7,11,13,16-17H,5-6,9H2,1-2H3.
What are the key properties of 4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 120724642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).