N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide

C14H19BrN2O3S — CID 82747329

IUPACN-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)c(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H19BrN2O3S/c1-9-7-12(11(15)8-13(9)21(16,19)20)17-14(18)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyDYWZSHOJRIFQEZ-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.92
Rot. Bonds3

About N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide

N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide (PubChem CID 82747329) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide
PubChem CID82747329
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC NameN-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)c(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H19BrN2O3S/c1-9-7-12(11(15)8-13(9)21(16,19)20)17-14(18)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyDYWZSHOJRIFQEZ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide
CID 43134141
5-bromo-2-methyl-4-(oxolane-3-carbonylamino)benzenesulfonyl chloride
CID 82757275
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
N-(4-amino-2-bromophenyl)cyclohexanecarboxamide
CID 1133414
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide (CID 82747329) is N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide is Cc1cc(NC(=O)C2CCCCC2)c(Br)cc1S(N)(=O)=O.
What is the InChIKey of N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide?
The InChIKey is DYWZSHOJRIFQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-9-7-12(11(15)8-13(9)21(16,19)20)17-14(18)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide?
N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide has a molecular weight of 375.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 82747329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).