5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide

C16H20ClNO3S3 — CID 121179141

IUPAC5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
SMILESCC(O)c1ccc(C2(CNS(=O)(=O)c3ccc(Cl)s3)CCCC2)s1
InChIInChI=1S/C16H20ClNO3S3/c1-11(19)12-4-5-13(22-12)16(8-2-3-9-16)10-18-24(20,21)15-7-6-14(17)23-15/h4-7,11,18-19H,2-3,8-10H2,1H3
InChIKeyYCVQGVKTTKLJEB-UHFFFAOYSA-N
MW405.99 g/mol
LogP4.31
Rot. Bonds6

About 5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide

5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide (PubChem CID 121179141) has the molecular formula C16H20ClNO3S3 and a molecular weight of 405.99 g/mol. Its IUPAC name is 5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
PubChem CID121179141
Molecular FormulaC16H20ClNO3S3
Molecular Weight405.99 g/mol
Exact Mass405.03
IUPAC Name5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
SMILESCC(O)c1ccc(C2(CNS(=O)(=O)c3ccc(Cl)s3)CCCC2)s1
InChIInChI=1S/C16H20ClNO3S3/c1-11(19)12-4-5-13(22-12)16(8-2-3-9-16)10-18-24(20,21)15-7-6-14(17)23-15/h4-7,11,18-19H,2-3,8-10H2,1H3
InChIKeyYCVQGVKTTKLJEB-UHFFFAOYSA-N
XLogP4.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.99
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide (CID 121179141) is 5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide is CC(O)c1ccc(C2(CNS(=O)(=O)c3ccc(Cl)s3)CCCC2)s1.
What is the InChIKey of 5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide?
The InChIKey is YCVQGVKTTKLJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3S3/c1-11(19)12-4-5-13(22-12)16(8-2-3-9-16)10-18-24(20,21)15-7-6-14(17)23-15/h4-7,11,18-19H,2-3,8-10H2,1H3.
What are the key properties of 5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide?
5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide has a molecular weight of 405.99 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 121179141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).