5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide

C16H14ClNO3S3 — CID 73167917

IUPAC5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccccc2)s1)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO3S3/c17-14-8-9-15(23-14)24(20,21)18-10-12-6-7-13(22-12)16(19)11-4-2-1-3-5-11/h1-9,16,18-19H,10H2
InChIKeyLWGKGWAYMAZFSO-UHFFFAOYSA-N
MW399.95 g/mol
LogP4.02
Rot. Bonds6

About 5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide

5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 73167917) has the molecular formula C16H14ClNO3S3 and a molecular weight of 399.95 g/mol. Its IUPAC name is 5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID73167917
Molecular FormulaC16H14ClNO3S3
Molecular Weight399.95 g/mol
Exact Mass398.98
IUPAC Name5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccccc2)s1)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO3S3/c17-14-8-9-15(23-14)24(20,21)18-10-12-6-7-13(22-12)16(19)11-4-2-1-3-5-11/h1-9,16,18-19H,10H2
InChIKeyLWGKGWAYMAZFSO-UHFFFAOYSA-N
XLogP4.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide (CID 73167917) is 5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(C(O)c2ccccc2)s1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is LWGKGWAYMAZFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S3/c17-14-8-9-15(23-14)24(20,21)18-10-12-6-7-13(22-12)16(19)11-4-2-1-3-5-11/h1-9,16,18-19H,10H2.
What are the key properties of 5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 399.95 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 73167917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).