N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide

C10H8ClNO3S3 — CID 58248853

IUPACN-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide
SMILESO=C(NCS(=O)(=O)c1ccc(Cl)s1)c1cccs1
InChIInChI=1S/C10H8ClNO3S3/c11-8-3-4-9(17-8)18(14,15)6-12-10(13)7-2-1-5-16-7/h1-5H,6H2,(H,12,13)
InChIKeyJJZIMKZADZDGOD-UHFFFAOYSA-N
MW321.83 g/mol
LogP2.62
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide

N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide (PubChem CID 58248853) has the molecular formula C10H8ClNO3S3 and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide
PubChem CID58248853
Molecular FormulaC10H8ClNO3S3
Molecular Weight321.83 g/mol
Exact Mass320.94
IUPAC NameN-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide
SMILESO=C(NCS(=O)(=O)c1ccc(Cl)s1)c1cccs1
InChIInChI=1S/C10H8ClNO3S3/c11-8-3-4-9(17-8)18(14,15)6-12-10(13)7-2-1-5-16-7/h1-5H,6H2,(H,12,13)
InChIKeyJJZIMKZADZDGOD-UHFFFAOYSA-N
XLogP2.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 51119320
N-sulfanylthiophene-2-carboxamide
CID 87476143
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535
N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 56765125
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9184130
N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 27841923
N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide
CID 6517677
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-benzylthiophene-2-carboxamide
CID 574227
2-[2-[(5-chlorothiophen-2-yl)sulfonylmethylamino]ethoxy]acetic acid
CID 69324049

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide (CID 58248853) is N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide is O=C(NCS(=O)(=O)c1ccc(Cl)s1)c1cccs1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide?
The InChIKey is JJZIMKZADZDGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S3/c11-8-3-4-9(17-8)18(14,15)6-12-10(13)7-2-1-5-16-7/h1-5H,6H2,(H,12,13).
What are the key properties of N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide?
N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide is sourced from PubChem (CID 58248853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).