4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide

C14H20ClNO3S — CID 102704178

IUPAC4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(CCl)ccc1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C14H20ClNO3S/c1-16(12-5-3-4-6-12)20(17,18)14-8-7-11(10-15)9-13(14)19-2/h7-9,12H,3-6,10H2,1-2H3
InChIKeyQRAVCHWLLQWENB-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.00
Rot. Bonds5

About 4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide

4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 102704178) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide
PubChem CID102704178
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(CCl)ccc1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C14H20ClNO3S/c1-16(12-5-3-4-6-12)20(17,18)14-8-7-11(10-15)9-13(14)19-2/h7-9,12H,3-6,10H2,1-2H3
InChIKeyQRAVCHWLLQWENB-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102704246
4-(chloromethyl)-2-methoxy-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 102704270
4-(chloromethyl)-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704233
4-(chloromethyl)-2-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 102704201
2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide
CID 30387821
5-(chloromethyl)-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744947
4-(chloromethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79177446
1-[4-(chloromethyl)-2-methoxyphenyl]sulfonylpiperidine
CID 102704166
4-(chloromethyl)-2-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102704190
4-(chloromethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704211
N-cycloheptyl-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178549
4-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide
CID 79177232

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide (CID 102704178) is 4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide is COc1cc(CCl)ccc1S(=O)(=O)N(C)C1CCCC1.
What is the InChIKey of 4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is QRAVCHWLLQWENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-16(12-5-3-4-6-12)20(17,18)14-8-7-11(10-15)9-13(14)19-2/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide?
4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 102704178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).