2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride

C11H10BrCl2NO3S — CID 113486107

IUPAC2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1(NC(=O)c2cc(S(=O)(=O)Cl)c(Br)cc2Cl)CC1
InChIInChI=1S/C11H10BrCl2NO3S/c1-11(2-3-11)15-10(16)6-4-9(19(14,17)18)7(12)5-8(6)13/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyMYCKJJXJBHVACS-UHFFFAOYSA-N
MW387.08 g/mol
LogP3.31
Rot. Bonds3

About 2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride

2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 113486107) has the molecular formula C11H10BrCl2NO3S and a molecular weight of 387.08 g/mol. Its IUPAC name is 2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
PubChem CID113486107
Molecular FormulaC11H10BrCl2NO3S
Molecular Weight387.08 g/mol
Exact Mass384.89
IUPAC Name2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1(NC(=O)c2cc(S(=O)(=O)Cl)c(Br)cc2Cl)CC1
InChIInChI=1S/C11H10BrCl2NO3S/c1-11(2-3-11)15-10(16)6-4-9(19(14,17)18)7(12)5-8(6)13/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyMYCKJJXJBHVACS-UHFFFAOYSA-N
XLogP3.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.08
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 113486103
2-bromo-4-chloro-5-(2-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65396451
2-bromo-4-chloro-5-(hexylcarbamoyl)benzenesulfonyl chloride
CID 65397654
2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide
CID 103765307
2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 65397672
tert-butyl 4-bromo-2-chloro-5-chlorosulfonylbenzoate
CID 65397317
3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide
CID 113486130
2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide
CID 114918894
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553
2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370831
5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide
CID 65380196
3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 65398826

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride (CID 113486107) is 2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride is CC1(NC(=O)c2cc(S(=O)(=O)Cl)c(Br)cc2Cl)CC1.
What is the InChIKey of 2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is MYCKJJXJBHVACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2NO3S/c1-11(2-3-11)15-10(16)6-4-9(19(14,17)18)7(12)5-8(6)13/h4-5H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 387.08 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 113486107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).