4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride

C14H17BrClNO3S — CID 65370250

IUPAC4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC(C)CN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Br)C1CC1
InChIInChI=1S/C14H17BrClNO3S/c1-9(2)8-17(10-3-4-10)14(18)12-7-11(21(16,19)20)5-6-13(12)15/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyHARMBQWXBXARLH-UHFFFAOYSA-N
MW394.72 g/mol
LogP3.64
Rot. Bonds5

About 4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride

4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65370250) has the molecular formula C14H17BrClNO3S and a molecular weight of 394.72 g/mol. Its IUPAC name is 4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65370250
Molecular FormulaC14H17BrClNO3S
Molecular Weight394.72 g/mol
Exact Mass392.98
IUPAC Name4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC(C)CN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Br)C1CC1
InChIInChI=1S/C14H17BrClNO3S/c1-9(2)8-17(10-3-4-10)14(18)12-7-11(21(16,19)20)5-6-13(12)15/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyHARMBQWXBXARLH-UHFFFAOYSA-N
XLogP3.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107032458
4-bromo-3-[methyl(2-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 65372268
4-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65397831
4-bromo-3-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82744577
2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47163482
4-methylpentan-2-yl 2-bromo-5-chlorosulfonylbenzoate
CID 65398683
4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65372864
5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 61104994
5-[cyclopropyl(3-methylbutyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 79005335
2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271847
4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 112725824
2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 60749864

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride (CID 65370250) is 4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride is CC(C)CN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Br)C1CC1.
What is the InChIKey of 4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is HARMBQWXBXARLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO3S/c1-9(2)8-17(10-3-4-10)14(18)12-7-11(21(16,19)20)5-6-13(12)15/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 394.72 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65370250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).