3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide

C15H13ClN2O5S2 — CID 126737155

IUPAC3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1)c1sccc1Cl
InChIInChI=1S/C15H13ClN2O5S2/c16-11-6-8-24-13(11)14(19)17-9-1-3-10(4-2-9)25(21,22)18-12-5-7-23-15(12)20/h1-4,6,8,12,18H,5,7H2,(H,17,19)/t12-/m0/s1
InChIKeyWJMKGZZYSWPFJZ-LBPRGKRZSA-N
MW400.87 g/mol
LogP2.25
Rot. Bonds5

About 3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide

3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 126737155) has the molecular formula C15H13ClN2O5S2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide
PubChem CID126737155
Molecular FormulaC15H13ClN2O5S2
Molecular Weight400.87 g/mol
Exact Mass400.00
IUPAC Name3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1)c1sccc1Cl
InChIInChI=1S/C15H13ClN2O5S2/c16-11-6-8-24-13(11)14(19)17-9-1-3-10(4-2-9)25(21,22)18-12-5-7-23-15(12)20/h1-4,6,8,12,18H,5,7H2,(H,17,19)/t12-/m0/s1
InChIKeyWJMKGZZYSWPFJZ-LBPRGKRZSA-N
XLogP2.25
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1117949
5-chloro-N-(4-(morpholinosulfonyl)phenyl)thiophene-2-carboxamide
CID 2147582
N-(3-chlorophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 2994412
2-[(S)-methylsulfinyl]ethyl (2S)-3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[3-[(2S)-2-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]phenyl]sulfonylamino]propanoate;hydrochloride
CID 178292289
(s)-3-chloro-N-(4-(N-(2-oxotetrahydrofuran-3-yl)sulfamoyl)phenyl)thiophene-2-carb oxamide
CID 100951638
(s)-3-methyl-N-(4-(N-(2-oxotetrahydrofuran-3-yl)sulfamoyl)phenyl)thiophene-2-carboxamide
CID 126756705
(s)-3-bromo-N-(4-(N-(2-oxotetrahydrofuran-3-yl)sulfamoyl)phenyl)thiophene-2-carboxamide
CID 126756718
3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 80641061
N-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2228367
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2963210
Tert-butyl 2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetate
CID 12968222
2-[[4-(Thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid
CID 15384324

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide (CID 126737155) is 3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is WJMKGZZYSWPFJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13ClN2O5S2/c16-11-6-8-24-13(11)14(19)17-9-1-3-10(4-2-9)25(21,22)18-12-5-7-23-15(12)20/h1-4,6,8,12,18H,5,7H2,(H,17,19)/t12-/m0/s1.
What are the key properties of 3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide?
3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 126737155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).