2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide

C11H17ClN4O2S — CID 124702622

IUPAC2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide
SMILESNc1ncc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCCN1
InChIInChI=1S/C11H17ClN4O2S/c12-8-5-10(11(13)15-6-8)19(17,18)16-7-9-3-1-2-4-14-9/h5-6,9,14,16H,1-4,7H2,(H2,13,15)/t9-/m0/s1
InChIKeyKOPUFMAOQVGAOZ-VIFPVBQESA-N
MW304.80 g/mol
LogP0.74
Rot. Bonds4

About 2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide

2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide (PubChem CID 124702622) has the molecular formula C11H17ClN4O2S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide
PubChem CID124702622
Molecular FormulaC11H17ClN4O2S
Molecular Weight304.80 g/mol
Exact Mass304.08
IUPAC Name2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide
SMILESNc1ncc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCCN1
InChIInChI=1S/C11H17ClN4O2S/c12-8-5-10(11(13)15-6-8)19(17,18)16-7-9-3-1-2-4-14-9/h5-6,9,14,16H,1-4,7H2,(H2,13,15)/t9-/m0/s1
InChIKeyKOPUFMAOQVGAOZ-VIFPVBQESA-N
XLogP0.74
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide
CID 86784602
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
2,5-dibromo-4-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 81326902
2-amino-5-chloro-N-[2-(methylamino)propyl]pyridine-3-sulfonamide
CID 120824575
4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974161
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
N-(piperidin-2-ylmethyl)quinoline-5-sulfonamide
CID 115752247
2-amino-5-chloro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 129004123

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide (CID 124702622) is 2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide is Nc1ncc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCCN1.
What is the InChIKey of 2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is KOPUFMAOQVGAOZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17ClN4O2S/c12-8-5-10(11(13)15-6-8)19(17,18)16-7-9-3-1-2-4-14-9/h5-6,9,14,16H,1-4,7H2,(H2,13,15)/t9-/m0/s1.
What are the key properties of 2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide?
2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 304.80 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 124702622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).