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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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).