N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

C15H13ClN2O2S3 — CID 50835874

IUPACN-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)s2)n1
InChIInChI=1S/C15H13ClN2O2S3/c1-9-8-21-15(17-9)13-7-14(10(2)22-13)23(19,20)18-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3
InChIKeyNVGHKJDEVLCVOO-UHFFFAOYSA-N
MW384.94 g/mol
LogP4.94
Rot. Bonds4

About N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 50835874) has the molecular formula C15H13ClN2O2S3 and a molecular weight of 384.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
PubChem CID50835874
Molecular FormulaC15H13ClN2O2S3
Molecular Weight384.94 g/mol
Exact Mass383.98
IUPAC NameN-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)s2)n1
InChIInChI=1S/C15H13ClN2O2S3/c1-9-8-21-15(17-9)13-7-14(10(2)22-13)23(19,20)18-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3
InChIKeyNVGHKJDEVLCVOO-UHFFFAOYSA-N
XLogP4.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.94
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (CID 50835874) is N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)s2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is NVGHKJDEVLCVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S3/c1-9-8-21-15(17-9)13-7-14(10(2)22-13)23(19,20)18-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 384.94 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 50835874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).