2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide

C15H17N3O3S — CID 35943097

IUPAC2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C15H17N3O3S/c1-10-6-7-12(22(16,20)21)9-13(10)15(19)18-11(2)14-5-3-4-8-17-14/h3-9,11H,1-2H3,(H,18,19)(H2,16,20,21)/t11-/m0/s1
InChIKeyXTUBXKVFYCINQN-NSHDSACASA-N
MW319.39 g/mol
LogP1.53
Rot. Bonds4

About 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide

2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide (PubChem CID 35943097) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
PubChem CID35943097
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C15H17N3O3S/c1-10-6-7-12(22(16,20)21)9-13(10)15(19)18-11(2)14-5-3-4-8-17-14/h3-9,11H,1-2H3,(H,18,19)(H2,16,20,21)/t11-/m0/s1
InChIKeyXTUBXKVFYCINQN-NSHDSACASA-N
XLogP1.53
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460
2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide
CID 107022791
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41083114
2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide
CID 27782394
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
2-chloro-N-[(1R)-1-pyridin-2-ylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9362538
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide (CID 35943097) is 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccccn1.
What is the InChIKey of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide?
The InChIKey is XTUBXKVFYCINQN-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-6-7-12(22(16,20)21)9-13(10)15(19)18-11(2)14-5-3-4-8-17-14/h3-9,11H,1-2H3,(H,18,19)(H2,16,20,21)/t11-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide?
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide has a molecular weight of 319.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 35943097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).