N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide

C14H19BrN2O3S — CID 106827763

IUPACN-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(S(N)(=O)=O)c(Br)c2)CCCCC1
InChIInChI=1S/C14H19BrN2O3S/c1-14(7-3-2-4-8-14)13(18)17-10-5-6-12(11(15)9-10)21(16,19)20/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyDEKRWYFYLCAGPT-UHFFFAOYSA-N
MW375.29 g/mol
LogP3.01
Rot. Bonds3

About N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide

N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106827763) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106827763
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC NameN-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(S(N)(=O)=O)c(Br)c2)CCCCC1
InChIInChI=1S/C14H19BrN2O3S/c1-14(7-3-2-4-8-14)13(18)17-10-5-6-12(11(15)9-10)21(16,19)20/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyDEKRWYFYLCAGPT-UHFFFAOYSA-N
XLogP3.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide
CID 130162731
N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 169204570
N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide
CID 103789447
N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106828727
N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide
CID 43246535
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761
2-amino-1-methyl-N-(4-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 82759601
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide
CID 78914140
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281111
2-bromo-4-[(2,2-dimethylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176181

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide (CID 106827763) is N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2ccc(S(N)(=O)=O)c(Br)c2)CCCCC1.
What is the InChIKey of N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is DEKRWYFYLCAGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-14(7-3-2-4-8-14)13(18)17-10-5-6-12(11(15)9-10)21(16,19)20/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide?
N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 375.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106827763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).