N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide

C10H13BrClNO2S — CID 81273468

IUPACN-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C10H13BrClNO2S/c1-7(2)6-16(14,15)13-10-5-8(12)3-4-9(10)11/h3-5,7,13H,6H2,1-2H3
InChIKeyOCSHUVLMSGFGEY-UHFFFAOYSA-N
MW326.64 g/mol
LogP3.50
Rot. Bonds4

About N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide

N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide (PubChem CID 81273468) has the molecular formula C10H13BrClNO2S and a molecular weight of 326.64 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide
PubChem CID81273468
Molecular FormulaC10H13BrClNO2S
Molecular Weight326.64 g/mol
Exact Mass324.95
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C10H13BrClNO2S/c1-7(2)6-16(14,15)13-10-5-8(12)3-4-9(10)11/h3-5,7,13H,6H2,1-2H3
InChIKeyOCSHUVLMSGFGEY-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.64
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-phenylpropane-1-sulfonamide
CID 81260767
5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride
CID 82756936
2-bromo-5-chloro-N-(propylsulfamoyl)aniline
CID 114808923
N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 100695748
N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106073353
N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide
CID 81256088
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356
1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
4-fluoro-3-(2-methylpropylsulfonylamino)benzoic acid
CID 63000374
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729
N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide
CID 103907877

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide (CID 81273468) is N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is OCSHUVLMSGFGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S/c1-7(2)6-16(14,15)13-10-5-8(12)3-4-9(10)11/h3-5,7,13H,6H2,1-2H3.
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide?
N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 326.64 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 81273468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).