3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide

C12H11ClN2O2S — CID 25043050

IUPAC3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c1-9-4-3-7-14-12(9)15-18(16,17)11-6-2-5-10(13)8-11/h2-8H,1H3,(H,14,15)
InChIKeyKDVBOBBGOHAGDU-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.84
Rot. Bonds3

About 3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide

3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 25043050) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID25043050
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c1-9-4-3-7-14-12(9)15-18(16,17)11-6-2-5-10(13)8-11/h2-8H,1H3,(H,14,15)
InChIKeyKDVBOBBGOHAGDU-UHFFFAOYSA-N
XLogP2.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide
CID 43217809
3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 177453725
N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
CID 60873792
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19683104
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 81438403
4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19423365
N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 115679391
N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide
CID 154337596

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide (CID 25043050) is 3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide is Cc1cccnc1NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is KDVBOBBGOHAGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-9-4-3-7-14-12(9)15-18(16,17)11-6-2-5-10(13)8-11/h2-8H,1H3,(H,14,15).
What are the key properties of 3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 25043050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).