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

C10H11ClN2O2S3 — CID 110446126

IUPAC5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)s2)sc1C
InChIInChI=1S/C10H11ClN2O2S3/c1-6-7(2)16-9(13-6)5-12-18(14,15)10-4-3-8(11)17-10/h3-4,12H,5H2,1-2H3
InChIKeyZXMNWGAMDJZMQS-UHFFFAOYSA-N
MW322.86 g/mol
LogP2.95
Rot. Bonds4

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

5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110446126) has the molecular formula C10H11ClN2O2S3 and a molecular weight of 322.86 g/mol. Its IUPAC name is 5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID110446126
Molecular FormulaC10H11ClN2O2S3
Molecular Weight322.86 g/mol
Exact Mass321.97
IUPAC Name5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)s2)sc1C
InChIInChI=1S/C10H11ClN2O2S3/c1-6-7(2)16-9(13-6)5-12-18(14,15)10-4-3-8(11)17-10/h3-4,12H,5H2,1-2H3
InChIKeyZXMNWGAMDJZMQS-UHFFFAOYSA-N
XLogP2.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110717446
5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714699
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 110446031
5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide
CID 110873480
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide
CID 110446172
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110739187
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581133
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 64529732

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide (CID 110446126) is 5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(Cl)s2)sc1C.
What is the InChIKey of 5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is ZXMNWGAMDJZMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S3/c1-6-7(2)16-9(13-6)5-12-18(14,15)10-4-3-8(11)17-10/h3-4,12H,5H2,1-2H3.
What are the key properties of 5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 322.86 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110446126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).