N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide

C14H16ClN3O2S — CID 103305595

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-16-13-4-3-9-17-14(13)21(19,20)18(2)10-11-5-7-12(15)8-6-11/h3-9,16H,10H2,1-2H3
InChIKeyQXZPSZFQPAFEII-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.60
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide

N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103305595) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103305595
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-16-13-4-3-9-17-14(13)21(19,20)18(2)10-11-5-7-12(15)8-6-11/h3-9,16H,10H2,1-2H3
InChIKeyQXZPSZFQPAFEII-UHFFFAOYSA-N
XLogP2.60
TPSA62.30 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103305698
N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305406
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305490
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103304973
N-methyl-3-(methylamino)-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 103306504
N-[3-(dimethylamino)propyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306050
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306392
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305649
N-methyl-3-(methylamino)-N-pyridin-4-ylpyridine-2-sulfonamide
CID 106936960
N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide
CID 103300825
3-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103301059
3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide
CID 103305564

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide (CID 103305595) is N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is QXZPSZFQPAFEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-16-13-4-3-9-17-14(13)21(19,20)18(2)10-11-5-7-12(15)8-6-11/h3-9,16H,10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103305595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).