6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide

C16H17ClN2O3S2 — CID 38968038

IUPAC6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
SMILESC[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S2/c1-11(16(20)12-4-6-13(17)7-5-12)23-15-9-8-14(10-18-15)24(21,22)19(2)3/h4-11H,1-3H3/t11-/m0/s1
InChIKeyKPZZRZJKDULILP-NSHDSACASA-N
MW384.91 g/mol
LogP3.35
Rot. Bonds6

About 6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide

6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 38968038) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
PubChem CID38968038
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
SMILESC[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S2/c1-11(16(20)12-4-6-13(17)7-5-12)23-15-9-8-14(10-18-15)24(21,22)19(2)3/h4-11H,1-3H3/t11-/m0/s1
InChIKeyKPZZRZJKDULILP-NSHDSACASA-N
XLogP3.35
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide with MolForge

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Related Compounds

6-[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 42952340
N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide
CID 38967801
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
(2R)-1-(4-chlorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38976733
(2R)-N-(3-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 7759639
N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 43029283
N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 45351660
N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide
CID 18092252
(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40646942
1-(4-bromophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 46583557
6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 103341224
6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 43015435

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide (CID 38968038) is 6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide is C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is KPZZRZJKDULILP-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-11(16(20)12-4-6-13(17)7-5-12)23-15-9-8-14(10-18-15)24(21,22)19(2)3/h4-11H,1-3H3/t11-/m0/s1.
What are the key properties of 6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 384.91 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 38968038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).