4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide

C10H11BrClNO2S — CID 47169838

IUPAC4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO2S/c1-13(8-3-4-8)16(14,15)10-5-2-7(11)6-9(10)12/h2,5-6,8H,3-4H2,1H3
InChIKeyVFWJZXJDQSDDGI-UHFFFAOYSA-N
MW324.63 g/mol
LogP2.89
Rot. Bonds3

About 4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide

4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide (PubChem CID 47169838) has the molecular formula C10H11BrClNO2S and a molecular weight of 324.63 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
PubChem CID47169838
Molecular FormulaC10H11BrClNO2S
Molecular Weight324.63 g/mol
Exact Mass322.94
IUPAC Name4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO2S/c1-13(8-3-4-8)16(14,15)10-5-2-7(11)6-9(10)12/h2,5-6,8H,3-4H2,1H3
InChIKeyVFWJZXJDQSDDGI-UHFFFAOYSA-N
XLogP2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.63
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63420302
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895
4-bromo-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylbenzenesulfonamide
CID 42955212
N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide
CID 79113443
5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
4-bromo-2-chloro-1-methylsulfonylbenzene
CID 23093061
4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630528

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide (CID 47169838) is 4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide is CN(C1CC1)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
The InChIKey is VFWJZXJDQSDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2S/c1-13(8-3-4-8)16(14,15)10-5-2-7(11)6-9(10)12/h2,5-6,8H,3-4H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide has a molecular weight of 324.63 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 47169838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).