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

C15H22ClNO3S — CID 102704246

IUPAC4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(CCl)ccc1S(=O)(=O)N(C)CC1CCCC1
InChIInChI=1S/C15H22ClNO3S/c1-17(11-12-5-3-4-6-12)21(18,19)15-8-7-13(10-16)9-14(15)20-2/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeySOCSGQUBFFEMTH-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.24
Rot. Bonds6

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

4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 102704246) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID102704246
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(CCl)ccc1S(=O)(=O)N(C)CC1CCCC1
InChIInChI=1S/C15H22ClNO3S/c1-17(11-12-5-3-4-6-12)21(18,19)15-8-7-13(10-16)9-14(15)20-2/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeySOCSGQUBFFEMTH-UHFFFAOYSA-N
XLogP3.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.24
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-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide
CID 102704178
4-(chloromethyl)-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704233
4-(chloromethyl)-2-methoxy-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 102704270
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
CID 102945989
4-(chloromethyl)-2-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 102704201
4-(chloromethyl)-2-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102704190
2-bromo-5-(chloromethyl)-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 114363627
3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 47480383
3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343551
1-[4-(chloromethyl)-2-methoxyphenyl]sulfonylpiperidine
CID 102704166
4-(chloromethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704211

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide (CID 102704246) is 4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide is COc1cc(CCl)ccc1S(=O)(=O)N(C)CC1CCCC1.
What is the InChIKey of 4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is SOCSGQUBFFEMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-17(11-12-5-3-4-6-12)21(18,19)15-8-7-13(10-16)9-14(15)20-2/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide?
4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 102704246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).