N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide

C13H16BrNO3S — CID 13027906

IUPACN-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C13H16BrNO3S/c1-13(8-2-3-9-13)12(16)15-19(17,18)11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyNYJMYAJGYFANAQ-UHFFFAOYSA-N
MW346.25 g/mol
LogP2.83
Rot. Bonds3

About N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide

N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide (PubChem CID 13027906) has the molecular formula C13H16BrNO3S and a molecular weight of 346.25 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide
PubChem CID13027906
Molecular FormulaC13H16BrNO3S
Molecular Weight346.25 g/mol
Exact Mass345.00
IUPAC NameN-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C13H16BrNO3S/c1-13(8-2-3-9-13)12(16)15-19(17,18)11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyNYJMYAJGYFANAQ-UHFFFAOYSA-N
XLogP2.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide
CID 90946350
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
1-methyl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylcyclopropane-1-carboxamide
CID 138047185
N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827400
1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 139006914
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide
CID 65121490
1-(4-bromophenyl)-N-(3-fluoro-5-nitrophenyl)sulfonylcyclobutane-1-carboxamide
CID 112844255
1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylic acid
CID 7131932
1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 103308699
N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827763
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357727

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide (CID 13027906) is N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCCC1.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide?
The InChIKey is NYJMYAJGYFANAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3S/c1-13(8-2-3-9-13)12(16)15-19(17,18)11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide?
N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide has a molecular weight of 346.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 13027906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).