N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide

C17H22N2O3S — CID 99789218

IUPACN-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide
SMILESCC[C@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H22N2O3S/c1-3-17(2,20)14-19(13-15-8-5-4-6-9-15)23(21,22)16-10-7-11-18-12-16/h4-12,20H,3,13-14H2,1-2H3/t17-/m0/s1
InChIKeyJFYBQJKPAQQUOT-KRWDZBQOSA-N
MW334.44 g/mol
LogP2.43
Rot. Bonds7

About N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide

N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide (PubChem CID 99789218) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide
PubChem CID99789218
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide
SMILESCC[C@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H22N2O3S/c1-3-17(2,20)14-19(13-15-8-5-4-6-9-15)23(21,22)16-10-7-11-18-12-16/h4-12,20H,3,13-14H2,1-2H3/t17-/m0/s1
InChIKeyJFYBQJKPAQQUOT-KRWDZBQOSA-N
XLogP2.43
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxy-2-methylbutyl)isoquinoline-5-sulfonamide
CID 126792069
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N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
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N-benzyl-N-[[4-(3-hydroxybutan-2-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 141072849
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CID 66921358
CID 66921358
2-[3-[[[4-(1,2-dihydroxypropan-2-yl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid
CID 10238971
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107483729
3-[[6-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]propanoic acid;hydrochloride
CID 155521506
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CID 42111354

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide?
The IUPAC name of N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide (CID 99789218) is N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide?
The canonical SMILES for N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide is CC[C@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide?
The InChIKey is JFYBQJKPAQQUOT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-17(2,20)14-19(13-15-8-5-4-6-9-15)23(21,22)16-10-7-11-18-12-16/h4-12,20H,3,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide?
N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide is sourced from PubChem (CID 99789218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).