N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide

C16H20ClN3O2S — CID 124890385

IUPACN-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide
SMILESCc1ccncc1S(=O)(=O)NC[C@H](c1ccccc1Cl)N(C)C
InChIInChI=1S/C16H20ClN3O2S/c1-12-8-9-18-11-16(12)23(21,22)19-10-15(20(2)3)13-6-4-5-7-14(13)17/h4-9,11,15,19H,10H2,1-3H3/t15-/m1/s1
InChIKeySRPZLRWCGNTYCZ-OAHLLOKOSA-N
MW353.88 g/mol
LogP2.62
Rot. Bonds6

About N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide

N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide (PubChem CID 124890385) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide
PubChem CID124890385
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide
SMILESCc1ccncc1S(=O)(=O)NC[C@H](c1ccccc1Cl)N(C)C
InChIInChI=1S/C16H20ClN3O2S/c1-12-8-9-18-11-16(12)23(21,22)19-10-15(20(2)3)13-6-4-5-7-14(13)17/h4-9,11,15,19H,10H2,1-3H3/t15-/m1/s1
InChIKeySRPZLRWCGNTYCZ-OAHLLOKOSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894141
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Benzenesulfonamide, 2,4-dichloro-3-methyl-N-(3-pyridyl)-
CID 534146
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
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4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
4-chloro-N-[8-pyridin-3-yl-5-[2-(5H-tetrazol-5-yl)ethyl]octyl]benzenesulfonamide
CID 14986690
4-chloro-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 2426990
3-{1-[(4-Chlorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738276
6-chloro-N-(2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729873
4-chloro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
CID 6157925
4-propyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 714397

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide (CID 124890385) is N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide is Cc1ccncc1S(=O)(=O)NC[C@H](c1ccccc1Cl)N(C)C.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide?
The InChIKey is SRPZLRWCGNTYCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-12-8-9-18-11-16(12)23(21,22)19-10-15(20(2)3)13-6-4-5-7-14(13)17/h4-9,11,15,19H,10H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide?
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide has a molecular weight of 353.88 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide is sourced from PubChem (CID 124890385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).