2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide

C14H14ClN3O3S2 — CID 16944752

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NC1CC1
InChIInChI=1S/C14H14ClN3O3S2/c1-8-12(13(19)17-10-4-5-10)22-14(16-8)18-23(20,21)11-6-2-9(15)3-7-11/h2-3,6-7,10H,4-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyQRLMLMQKKHWZFD-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.80
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide

2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16944752) has the molecular formula C14H14ClN3O3S2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16944752
Molecular FormulaC14H14ClN3O3S2
Molecular Weight371.87 g/mol
Exact Mass371.02
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NC1CC1
InChIInChI=1S/C14H14ClN3O3S2/c1-8-12(13(19)17-10-4-5-10)22-14(16-8)18-23(20,21)11-6-2-9(15)3-7-11/h2-3,6-7,10H,4-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyQRLMLMQKKHWZFD-UHFFFAOYSA-N
XLogP2.80
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944952
N-cycloheptyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944956
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16944742
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691
2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944693
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
CID 16944627
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944745
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119477613

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide (CID 16944752) is 2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NC1CC1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QRLMLMQKKHWZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S2/c1-8-12(13(19)17-10-4-5-10)22-14(16-8)18-23(20,21)11-6-2-9(15)3-7-11/h2-3,6-7,10H,4-5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).