3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide

C16H18ClNO3S2 — CID 10287096

IUPAC3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide
SMILESCCCC(=O)Cc1cscc1NS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H18ClNO3S2/c1-3-5-13(19)8-12-9-22-10-15(12)18-23(20,21)16-7-4-6-14(17)11(16)2/h4,6-7,9-10,18H,3,5,8H2,1-2H3
InChIKeyDJBWHBNYYIXXCX-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.42
Rot. Bonds7

About 3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide

3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide (PubChem CID 10287096) has the molecular formula C16H18ClNO3S2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide
PubChem CID10287096
Molecular FormulaC16H18ClNO3S2
Molecular Weight371.91 g/mol
Exact Mass371.04
IUPAC Name3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide
SMILESCCCC(=O)Cc1cscc1NS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H18ClNO3S2/c1-3-5-13(19)8-12-9-22-10-15(12)18-23(20,21)16-7-4-6-14(17)11(16)2/h4,6-7,9-10,18H,3,5,8H2,1-2H3
InChIKeyDJBWHBNYYIXXCX-UHFFFAOYSA-N
XLogP4.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide
CID 90865426
3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide
CID 10237732
3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 86824893
3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide
CID 11702579
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide
CID 10286794
4-[2-[3-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-2-yl]acetyl]piperazine-1-carboxylic acid
CID 138544785
ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
CID 11199690
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide
CID 143906895
3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide
CID 11631523
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 10111686

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide (CID 10287096) is 3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide is CCCC(=O)Cc1cscc1NS(=O)(=O)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is DJBWHBNYYIXXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S2/c1-3-5-13(19)8-12-9-22-10-15(12)18-23(20,21)16-7-4-6-14(17)11(16)2/h4,6-7,9-10,18H,3,5,8H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 371.91 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 10287096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).