(2-bromo-4-chlorophenyl)methanesulfonamide

C7H7BrClNO2S — CID 71683198

IUPAC(2-bromo-4-chlorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Cl)cc1Br
InChIInChI=1S/C7H7BrClNO2S/c8-7-3-6(9)2-1-5(7)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyYTMAKWLPKMJEEF-UHFFFAOYSA-N
MW284.56 g/mol
LogP1.89
Rot. Bonds2

About (2-bromo-4-chlorophenyl)methanesulfonamide

(2-bromo-4-chlorophenyl)methanesulfonamide (PubChem CID 71683198) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)methanesulfonamide
PubChem CID71683198
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name(2-bromo-4-chlorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Cl)cc1Br
InChIInChI=1S/C7H7BrClNO2S/c8-7-3-6(9)2-1-5(7)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyYTMAKWLPKMJEEF-UHFFFAOYSA-N
XLogP1.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dibromophenyl)methanesulfonamide
CID 107944156
2-bromo-4-chlorobenzenesulfonamide
CID 79018093
1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 86783821
(5-bromo-2-fluorophenyl)methanesulfonamide
CID 61064236
3-(2-bromo-4-chlorophenyl)propanal
CID 117372251
2-[2-(2-bromo-4-chlorophenyl)ethyl]-5-chloroaniline
CID 10783688
(4-cyanophenyl) (2-bromo-4-chlorophenyl)methanesulfonate
CID 75396168
lithium;2-bromo-4-chlorophenol;hydride
CID 175213259
[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 110170598
2-(2-bromo-4-chloroanilino)ethanesulfonamide
CID 114385115
4-[(2-bromo-4-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine
CID 75396063
2,6-dibromo-4-chlorobenzenesulfonamide
CID 130484005

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)methanesulfonamide?
The IUPAC name of (2-bromo-4-chlorophenyl)methanesulfonamide (CID 71683198) is (2-bromo-4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for (2-bromo-4-chlorophenyl)methanesulfonamide?
The canonical SMILES for (2-bromo-4-chlorophenyl)methanesulfonamide is NS(=O)(=O)Cc1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)methanesulfonamide?
The InChIKey is YTMAKWLPKMJEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-7-3-6(9)2-1-5(7)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of (2-bromo-4-chlorophenyl)methanesulfonamide?
(2-bromo-4-chlorophenyl)methanesulfonamide has a molecular weight of 284.56 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 71683198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).