5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide

C12H18ClNO4S3 — CID 25481244

IUPAC5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO4S3/c1-9(2)7-14(10-5-6-20(15,16)8-10)21(17,18)12-4-3-11(13)19-12/h3-4,9-10H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyQRQTURCGOPCPBX-SNVBAGLBSA-N
MW371.93 g/mol
LogP2.24
Rot. Bonds5

About 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide

5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 25481244) has the molecular formula C12H18ClNO4S3 and a molecular weight of 371.93 g/mol. Its IUPAC name is 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide
PubChem CID25481244
Molecular FormulaC12H18ClNO4S3
Molecular Weight371.93 g/mol
Exact Mass371.01
IUPAC Name5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO4S3/c1-9(2)7-14(10-5-6-20(15,16)8-10)21(17,18)12-4-3-11(13)19-12/h3-4,9-10H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyQRQTURCGOPCPBX-SNVBAGLBSA-N
XLogP2.24
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 7260423
6-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 18229386
4-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methylpropyl)benzene-1,4-disulfonamide
CID 18287287
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-phenylbenzenesulfonamide
CID 39978103
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6600832
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43047631
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 42999407
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 24511568
5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 106268641
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 55206101
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide
CID 24818384
5-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]thiophene-2-carbothioamide
CID 106270467

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide (CID 25481244) is 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide is CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is QRQTURCGOPCPBX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18ClNO4S3/c1-9(2)7-14(10-5-6-20(15,16)8-10)21(17,18)12-4-3-11(13)19-12/h3-4,9-10H,5-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide?
5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 371.93 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 25481244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).