2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide

C14H16ClN3O2S — CID 65428769

IUPAC2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C14H16ClN3O2S/c1-2-18(10-11-5-3-6-12(15)9-11)21(19,20)13-7-4-8-17-14(13)16/h3-9H,2,10H2,1H3,(H2,16,17)
InChIKeyUKCIGJMSQDFWSD-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.53
Rot. Bonds5

About 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide

2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide (PubChem CID 65428769) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
PubChem CID65428769
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C14H16ClN3O2S/c1-2-18(10-11-5-3-6-12(15)9-11)21(19,20)13-7-4-8-17-14(13)16/h3-9H,2,10H2,1H3,(H2,16,17)
InChIKeyUKCIGJMSQDFWSD-UHFFFAOYSA-N
XLogP2.53
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,N-diethylpyridine-3-sulfonamide
CID 62150875
6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 61045031
2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide
CID 106593798
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide
CID 79999013
2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
CID 71914118
2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 62158182
N-[(3-chlorophenyl)methyl]-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260167
2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 23988205
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984523
2-amino-N-(3-chlorophenyl)pyridine-3-sulfonamide
CID 62144853
N-[(3-aminophenyl)methyl]-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911327

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide (CID 65428769) is 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide is CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
The InChIKey is UKCIGJMSQDFWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-2-18(10-11-5-3-6-12(15)9-11)21(19,20)13-7-4-8-17-14(13)16/h3-9H,2,10H2,1H3,(H2,16,17).
What are the key properties of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 65428769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).