4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide

C14H20ClNO3S — CID 39624570

IUPAC4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCCOCC1CC1
InChIInChI=1S/C14H20ClNO3S/c1-11-9-13(15)5-6-14(11)20(17,18)16-7-2-8-19-10-12-3-4-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3
InChIKeyVKRUABKEWPSMCM-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.74
Rot. Bonds8

About 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide

4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide (PubChem CID 39624570) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide
PubChem CID39624570
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCCOCC1CC1
InChIInChI=1S/C14H20ClNO3S/c1-11-9-13(15)5-6-14(11)20(17,18)16-7-2-8-19-10-12-3-4-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3
InChIKeyVKRUABKEWPSMCM-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160
N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
CID 46633566
N-[3-(cyclopropylmethoxy)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 38257447
4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide
CID 39657222
4-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylbenzenesulfonamide
CID 106832968
5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide
CID 60779783
4-chloro-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994425
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide (CID 39624570) is 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NCCCOCC1CC1.
What is the InChIKey of 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide?
The InChIKey is VKRUABKEWPSMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-11-9-13(15)5-6-14(11)20(17,18)16-7-2-8-19-10-12-3-4-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3.
What are the key properties of 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide?
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 39624570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).