3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide

C11H12ClN3O2S2 — CID 103305076

IUPAC3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H12ClN3O2S2/c1-15(7-8-4-5-10(12)18-8)19(16,17)11-9(13)3-2-6-14-11/h2-6H,7,13H2,1H3
InChIKeyNQUGTGDESAISNP-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide (PubChem CID 103305076) has the molecular formula C11H12ClN3O2S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide
PubChem CID103305076
Molecular FormulaC11H12ClN3O2S2
Molecular Weight317.82 g/mol
Exact Mass317.01
IUPAC Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H12ClN3O2S2/c1-15(7-8-4-5-10(12)18-8)19(16,17)11-9(13)3-2-6-14-11/h2-6H,7,13H2,1H3
InChIKeyNQUGTGDESAISNP-UHFFFAOYSA-N
XLogP2.20
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-sulfonic acid pyridin-3-ylamide
CID 651720
N-(2-chlorophenyl)-5-pyridin-2-ylthiophene-2-sulfonamide
CID 614228
4-[(4-chlorophenyl)sulfonyl]-2-(methylsulfonyl)-N-(pyridin-2-ylmethyl)-1,3-thiazol-5-amine
CID 16193541
4-chloro-N-pyridin-3-ylbenzenesulfonamide
CID 835318
5-chloro-N-(2-pyridinylmethyl)-2-thiophenesulfonamide
CID 713290
2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide
CID 1263108
5-chloro-N-[(pyridin-3-yl)methyl]thiophene-2-sulfonamide
CID 2104199
N-(2-chloropyridin-3-yl)benzenesulfonamide
CID 737321
6-chloro-N-{4,5-dichloro-2-[(2-thienylsulfonyl)amino]phenyl}pyridine-3-sulfonamide
CID 57383107
3-chloro-N-3-pyridinylbenzenesulfonamide
CID 890243
5-ethyl-N-(4-methylpyridin-3-yl)thiophene-2-sulfonamide
CID 71973510
5-chloro-N-(4-methylpyridin-3-yl)thiophene-2-sulfonamide
CID 71973512

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide (CID 103305076) is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide is CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide?
The InChIKey is NQUGTGDESAISNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S2/c1-15(7-8-4-5-10(12)18-8)19(16,17)11-9(13)3-2-6-14-11/h2-6H,7,13H2,1H3.
What are the key properties of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide?
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 103305076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).