3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide

C15H20ClN3O3S2 — CID 69239431

IUPAC3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=C([C@@H]1C[C@H](CNS(=O)(=O)c2cccc(Cl)c2)CN1)N1CCSC1
InChIInChI=1S/C15H20ClN3O3S2/c16-12-2-1-3-13(7-12)24(21,22)18-9-11-6-14(17-8-11)15(20)19-4-5-23-10-19/h1-3,7,11,14,17-18H,4-6,8-10H2/t11-,14-/m0/s1
InChIKeyQDRWEKWVTKEVIV-FZMZJTMJSA-N
MW389.93 g/mol
LogP1.13
Rot. Bonds5

About 3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide

3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide (PubChem CID 69239431) has the molecular formula C15H20ClN3O3S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
PubChem CID69239431
Molecular FormulaC15H20ClN3O3S2
Molecular Weight389.93 g/mol
Exact Mass389.06
IUPAC Name3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=C([C@@H]1C[C@H](CNS(=O)(=O)c2cccc(Cl)c2)CN1)N1CCSC1
InChIInChI=1S/C15H20ClN3O3S2/c16-12-2-1-3-13(7-12)24(21,22)18-9-11-6-14(17-8-11)15(20)19-4-5-23-10-19/h1-3,7,11,14,17-18H,4-6,8-10H2/t11-,14-/m0/s1
InChIKeyQDRWEKWVTKEVIV-FZMZJTMJSA-N
XLogP1.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 90770865
4-bromo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69238518
3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69238431
3-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91814268
4-(dimethylamino)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242452
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]quinoxaline-2-carboxamide
CID 91366956
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119704304
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 11689871
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936053
3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110719965

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide (CID 69239431) is 3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide is O=C([C@@H]1C[C@H](CNS(=O)(=O)c2cccc(Cl)c2)CN1)N1CCSC1.
What is the InChIKey of 3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is QDRWEKWVTKEVIV-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H20ClN3O3S2/c16-12-2-1-3-13(7-12)24(21,22)18-9-11-6-14(17-8-11)15(20)19-4-5-23-10-19/h1-3,7,11,14,17-18H,4-6,8-10H2/t11-,14-/m0/s1.
What are the key properties of 3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 389.93 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 69239431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).