2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide

C14H19BrN2O3S — CID 9165558

IUPAC2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CC2)c1
InChIInChI=1S/C14H19BrN2O3S/c1-9(2)8-16-21(19,20)11-5-6-13(15)12(7-11)14(18)17-10-3-4-10/h5-7,9-10,16H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyHLTDNLPQXSEWGD-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.28
Rot. Bonds6

About 2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide

2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide (PubChem CID 9165558) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide
PubChem CID9165558
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CC2)c1
InChIInChI=1S/C14H19BrN2O3S/c1-9(2)8-16-21(19,20)11-5-6-13(15)12(7-11)14(18)17-10-3-4-10/h5-7,9-10,16H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyHLTDNLPQXSEWGD-UHFFFAOYSA-N
XLogP2.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 3877568
4-bromo-3-(dimethylaminocarbamoyl)-N-(2-methylpropyl)benzenesulfonamide
CID 9180241
5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide
CID 9209150
methyl 2-bromo-5-(2-methylpropylsulfamoyl)benzoate
CID 47131741
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide
CID 33295438
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid
CID 107216066
2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 40811240
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 86945813
2-bromo-5-(3-methylbutylsulfamoyl)benzoic acid
CID 43216892
2-bromo-5-(5-methylhexylsulfamoyl)benzoic acid
CID 115325025
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide (CID 9165558) is 2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide is CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is HLTDNLPQXSEWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-9(2)8-16-21(19,20)11-5-6-13(15)12(7-11)14(18)17-10-3-4-10/h5-7,9-10,16H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide?
2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 375.29 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 9165558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).