N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide

C12H12BrN3O2S — CID 113035997

IUPACN-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2ccccc2Br)cn1
InChIInChI=1S/C12H12BrN3O2S/c1-19(17,18)16-12-7-6-9(8-14-12)15-11-5-3-2-4-10(11)13/h2-8,15H,1H3,(H,14,16)
InChIKeyWTQKHMNWKSEWET-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.96
Rot. Bonds4

About N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide

N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide (PubChem CID 113035997) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide
PubChem CID113035997
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC NameN-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2ccccc2Br)cn1
InChIInChI=1S/C12H12BrN3O2S/c1-19(17,18)16-12-7-6-9(8-14-12)15-11-5-3-2-4-10(11)13/h2-8,15H,1H3,(H,14,16)
InChIKeyWTQKHMNWKSEWET-UHFFFAOYSA-N
XLogP2.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-bromoanilino)phenyl]methanesulfonamide
CID 112989037
N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide
CID 113034304
methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate
CID 113035990
1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113035995
N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide
CID 113032862
N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 790872
methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate
CID 113021397
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide
CID 113033646
5-(2-bromoanilino)pyridine-2-carbonitrile
CID 115487447
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113034036
5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194683

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide (CID 113035997) is N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Nc2ccccc2Br)cn1.
What is the InChIKey of N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide?
The InChIKey is WTQKHMNWKSEWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-19(17,18)16-12-7-6-9(8-14-12)15-11-5-3-2-4-10(11)13/h2-8,15H,1H3,(H,14,16).
What are the key properties of N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide?
N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide has a molecular weight of 342.22 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113035997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).