N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

C19H15N3O6S3 — CID 172862972

IUPACN-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1
InChIInChI=1S/C19H15N3O6S3/c1-30(24,25)13-5-7-14(8-6-13)31(26,27)22-12-4-9-15-17(11-12)29-19(20-15)21-18(23)16-3-2-10-28-16/h2-11,22H,1H3,(H,20,21,23)
InChIKeyZPJCVZCXYOOCLV-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.35
Rot. Bonds6

About N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide (PubChem CID 172862972) has the molecular formula C19H15N3O6S3 and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
PubChem CID172862972
Molecular FormulaC19H15N3O6S3
Molecular Weight477.55 g/mol
Exact Mass477.01
IUPAC NameN-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1
InChIInChI=1S/C19H15N3O6S3/c1-30(24,25)13-5-7-14(8-6-13)31(26,27)22-12-4-9-15-17(11-12)29-19(20-15)21-18(23)16-3-2-10-28-16/h2-11,22H,1H3,(H,20,21,23)
InChIKeyZPJCVZCXYOOCLV-UHFFFAOYSA-N
XLogP3.35
TPSA135.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127294
4-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 121045218
N-[6-[(2-methoxybenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127300
N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfonylbenzenesulfonamide
CID 46534623
N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127363
N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 172755506
ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 646260
N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 19213737
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 9193366
N-[6-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127378
N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325489

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide (CID 172862972) is N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide is CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1.
What is the InChIKey of N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The InChIKey is ZPJCVZCXYOOCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6S3/c1-30(24,25)13-5-7-14(8-6-13)31(26,27)22-12-4-9-15-17(11-12)29-19(20-15)21-18(23)16-3-2-10-28-16/h2-11,22H,1H3,(H,20,21,23).
What are the key properties of N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 172862972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).