N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H14ClN3O3S2 — CID 61274812

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C12H14ClN3O3S2/c1-7-11(20-12(17)14-7)21(18,19)15-9-6-8(13)4-5-10(9)16(2)3/h4-6,15H,1-3H3,(H,14,17)
InChIKeyNFPXDZNIQNNTNX-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.27
Rot. Bonds4

About N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 61274812) has the molecular formula C12H14ClN3O3S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID61274812
Molecular FormulaC12H14ClN3O3S2
Molecular Weight347.85 g/mol
Exact Mass347.02
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C12H14ClN3O3S2/c1-7-11(20-12(17)14-7)21(18,19)15-9-6-8(13)4-5-10(9)16(2)3/h4-6,15H,1-3H3,(H,14,17)
InChIKeyNFPXDZNIQNNTNX-UHFFFAOYSA-N
XLogP2.27
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884085
N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 104727919
5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide
CID 79999030
N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884611
N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60971346
N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712767
2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 60860714
N-(3,5-difluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712773
2-[2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 62534389
2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 61275975
N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
CID 9030613
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide
CID 80547490

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 61274812) is N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is NFPXDZNIQNNTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S2/c1-7-11(20-12(17)14-7)21(18,19)15-9-6-8(13)4-5-10(9)16(2)3/h4-6,15H,1-3H3,(H,14,17).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 347.85 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61274812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).