2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine

C12H13N3O2S — CID 95133440

IUPAC2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
SMILESNS(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C12H13N3O2S/c13-18(16,17)15-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-9,12,15H,(H2,13,16,17)/t12-/m0/s1
InChIKeySXISSNUPJCJGHE-LBPRGKRZSA-N
MW263.32 g/mol
LogP0.96
Rot. Bonds4

About 2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine

2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine (PubChem CID 95133440) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine.

Molecular Properties

Compound Name2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
PubChem CID95133440
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
SMILESNS(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C12H13N3O2S/c13-18(16,17)15-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-9,12,15H,(H2,13,16,17)/t12-/m0/s1
InChIKeySXISSNUPJCJGHE-LBPRGKRZSA-N
XLogP0.96
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
phenyl(pyridin-2-yl)methanesulfonamide
CID 62085635
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 39794094
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201
1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide
CID 56581941
3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137
2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine
CID 47023158
2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen
CID 142506802
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine?
The IUPAC name of 2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine (CID 95133440) is 2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine.
What is the SMILES notation for 2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine?
The canonical SMILES for 2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine is NS(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine?
The InChIKey is SXISSNUPJCJGHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-18(16,17)15-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-9,12,15H,(H2,13,16,17)/t12-/m0/s1.
What are the key properties of 2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine?
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine has a molecular weight of 263.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine is sourced from PubChem (CID 95133440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).