2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole

C16H14ClN3O4S3 — CID 57340179

IUPAC2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole
SMILESNS(=O)(=O)NCc1csc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H14ClN3O4S3/c17-12-3-7-15(8-4-12)26(21,22)14-5-1-11(2-6-14)16-20-13(10-25-16)9-19-27(18,23)24/h1-8,10,19H,9H2,(H2,18,23,24)
InChIKeyQRKURIYWMWWXOQ-UHFFFAOYSA-N
MW443.96 g/mol
LogP2.59
Rot. Bonds6

About 2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole

2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole (PubChem CID 57340179) has the molecular formula C16H14ClN3O4S3 and a molecular weight of 443.96 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole
PubChem CID57340179
Molecular FormulaC16H14ClN3O4S3
Molecular Weight443.96 g/mol
Exact Mass442.98
IUPAC Name2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole
SMILESNS(=O)(=O)NCc1csc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H14ClN3O4S3/c17-12-3-7-15(8-4-12)26(21,22)14-5-1-11(2-6-14)16-20-13(10-25-16)9-19-27(18,23)24/h1-8,10,19H,9H2,(H2,18,23,24)
InChIKeyQRKURIYWMWWXOQ-UHFFFAOYSA-N
XLogP2.59
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2812981
N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamide
CID 10666499
4-[4-(4-Chloro-phenyl)-2-methyl-thiazol-5-yl]-benzenesulfonamide
CID 44271312
4-[5-(4-Chloro-phenyl)-2-methyl-thiazol-4-yl]-benzenesulfonamide
CID 44271388
2-[4-(Phenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2a
CID 57340178
2-[4-(4-Bromophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2c
CID 57340180
2-[4-(4-Chlorophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamate, 3b
CID 57340182
4-chloro-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738778
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 5310004
5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 5310037
2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 7518696
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 3242939

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole (CID 57340179) is 2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole is NS(=O)(=O)NCc1csc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
The InChIKey is QRKURIYWMWWXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S3/c17-12-3-7-15(8-4-12)26(21,22)14-5-1-11(2-6-14)16-20-13(10-25-16)9-19-27(18,23)24/h1-8,10,19H,9H2,(H2,18,23,24).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole has a molecular weight of 443.96 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole is sourced from PubChem (CID 57340179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).