4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide

C17H13N3O2S3 — CID 11632469

IUPAC4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cc(-c3nc4ccccc4s3)cs2)c1
InChIInChI=1S/C17H13N3O2S3/c1-11-6-7-18-15(8-11)20-25(21,22)16-9-12(10-23-16)17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,18,20)
InChIKeyPRBJUDQWNXOQKR-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.53
Rot. Bonds4

About 4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide

4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide (PubChem CID 11632469) has the molecular formula C17H13N3O2S3 and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
PubChem CID11632469
Molecular FormulaC17H13N3O2S3
Molecular Weight387.51 g/mol
Exact Mass387.02
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cc(-c3nc4ccccc4s3)cs2)c1
InChIInChI=1S/C17H13N3O2S3/c1-11-6-7-18-15(8-11)20-25(21,22)16-9-12(10-23-16)17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,18,20)
InChIKeyPRBJUDQWNXOQKR-UHFFFAOYSA-N
XLogP4.53
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide (CID 11632469) is 4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide is Cc1ccnc(NS(=O)(=O)c2cc(-c3nc4ccccc4s3)cs2)c1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is PRBJUDQWNXOQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S3/c1-11-6-7-18-15(8-11)20-25(21,22)16-9-12(10-23-16)17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,18,20).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 11632469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).