3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide

C14H20BrNO3S — CID 47480383

IUPAC3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC2CCCC2)cc1Br
InChIInChI=1S/C14H20BrNO3S/c1-16(10-11-5-3-4-6-11)20(17,18)12-7-8-14(19-2)13(15)9-12/h7-9,11H,3-6,10H2,1-2H3
InChIKeyWQVQOYFQWNMXCG-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.27
Rot. Bonds5

About 3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide

3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 47480383) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
PubChem CID47480383
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC2CCCC2)cc1Br
InChIInChI=1S/C14H20BrNO3S/c1-16(10-11-5-3-4-6-11)20(17,18)12-7-8-14(19-2)13(15)9-12/h7-9,11H,3-6,10H2,1-2H3
InChIKeyWQVQOYFQWNMXCG-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 106611161
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
2-bromo-4-(cyclobutylmethylsulfonyl)-1-methoxybenzene
CID 170744006
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 115556504
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 33174885
3-bromo-4-methoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61060027
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
N-(3-amino-2,2-dimethylpropyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 79653090
3-bromo-N-(5-hydroxypentyl)-4-methoxy-N-methylbenzenesulfonamide
CID 104982030
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 116652162

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide (CID 47480383) is 3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC2CCCC2)cc1Br.
What is the InChIKey of 3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is WQVQOYFQWNMXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-16(10-11-5-3-4-6-11)20(17,18)12-7-8-14(19-2)13(15)9-12/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide?
3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 47480383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).