5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

C14H11ClN2O2S3 — CID 5310037

IUPAC5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClN2O2S3/c15-12-6-7-13(21-12)22(18,19)16-8-11-9-20-14(17-11)10-4-2-1-3-5-10/h1-7,9,16H,8H2
InChIKeyVCKDUKZRSWVGPV-UHFFFAOYSA-N
MW370.91 g/mol
LogP4.00
Rot. Bonds5

About 5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 5310037) has the molecular formula C14H11ClN2O2S3 and a molecular weight of 370.91 g/mol. Its IUPAC name is 5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID5310037
Molecular FormulaC14H11ClN2O2S3
Molecular Weight370.91 g/mol
Exact Mass369.97
IUPAC Name5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClN2O2S3/c15-12-6-7-13(21-12)22(18,19)16-8-11-9-20-14(17-11)10-4-2-1-3-5-10/h1-7,9,16H,8H2
InChIKeyVCKDUKZRSWVGPV-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (CID 5310037) is 5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is VCKDUKZRSWVGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S3/c15-12-6-7-13(21-12)22(18,19)16-8-11-9-20-14(17-11)10-4-2-1-3-5-10/h1-7,9,16H,8H2.
What are the key properties of 5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 370.91 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5310037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).