4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide

C16H23N3O3S — CID 136575021

IUPAC4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide
SMILESCOCCCNc1cc(C#N)ccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H23N3O3S/c1-22-10-4-9-18-15-11-13(12-17)7-8-16(15)23(20,21)19-14-5-2-3-6-14/h7-8,11,14,18-19H,2-6,9-10H2,1H3
InChIKeyCXELJEVZNUAJKQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.23
Rot. Bonds8

About 4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide

4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide (PubChem CID 136575021) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide
PubChem CID136575021
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide
SMILESCOCCCNc1cc(C#N)ccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H23N3O3S/c1-22-10-4-9-18-15-11-13(12-17)7-8-16(15)23(20,21)19-14-5-2-3-6-14/h7-8,11,14,18-19H,2-6,9-10H2,1H3
InChIKeyCXELJEVZNUAJKQ-UHFFFAOYSA-N
XLogP2.23
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide
CID 136575017
3-amino-4-(3-methoxypropylamino)benzonitrile
CID 43518151
4-(3-methoxypropylamino)-3-nitrobenzonitrile
CID 39771872
4-acetyl-3-(3-cyclohexyloxypropylamino)benzonitrile
CID 75452823
4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 106998698
4-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323
2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-cyano-N-(2-methoxyethyl)benzenesulfonamide
CID 136589304
3-bromo-4-(5-methoxypentylamino)benzonitrile
CID 103865867
3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138045411
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-(3-ethoxypropylamino)-3-methoxybenzonitrile
CID 104848581

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide?
The IUPAC name of 4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide (CID 136575021) is 4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide is COCCCNc1cc(C#N)ccc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide?
The InChIKey is CXELJEVZNUAJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-22-10-4-9-18-15-11-13(12-17)7-8-16(15)23(20,21)19-14-5-2-3-6-14/h7-8,11,14,18-19H,2-6,9-10H2,1H3.
What are the key properties of 4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide?
4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide is sourced from PubChem (CID 136575021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).