4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride

C11H11ClN2O4S3 — CID 63944652

IUPAC4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride
SMILESCc1cccc(S(=O)(=O)Nc2nc(C)c(S(=O)(=O)Cl)s2)c1
InChIInChI=1S/C11H11ClN2O4S3/c1-7-4-3-5-9(6-7)21(17,18)14-11-13-8(2)10(19-11)20(12,15)16/h3-6H,1-2H3,(H,13,14)
InChIKeyUXDVKUTWSWWQDE-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.49
Rot. Bonds4

About 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride

4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride (PubChem CID 63944652) has the molecular formula C11H11ClN2O4S3 and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride
PubChem CID63944652
Molecular FormulaC11H11ClN2O4S3
Molecular Weight366.87 g/mol
Exact Mass365.96
IUPAC Name4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride
SMILESCc1cccc(S(=O)(=O)Nc2nc(C)c(S(=O)(=O)Cl)s2)c1
InChIInChI=1S/C11H11ClN2O4S3/c1-7-4-3-5-9(6-7)21(17,18)14-11-13-8(2)10(19-11)20(12,15)16/h3-6H,1-2H3,(H,13,14)
InChIKeyUXDVKUTWSWWQDE-UHFFFAOYSA-N
XLogP2.49
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide
CID 63944661
4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63946632
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 61466425
N-chloro-3-methylbenzenesulfonamide
CID 18672211
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 106466331
N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-methylbenzenesulfonamide
CID 69069110
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
2-[(2-chlorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946233
2-[[5-[(3-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283396

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride (CID 63944652) is 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride is Cc1cccc(S(=O)(=O)Nc2nc(C)c(S(=O)(=O)Cl)s2)c1.
What is the InChIKey of 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is UXDVKUTWSWWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4S3/c1-7-4-3-5-9(6-7)21(17,18)14-11-13-8(2)10(19-11)20(12,15)16/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride?
4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 366.87 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 63944652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).