N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide

C17H14N4O2S2 — CID 46392593

IUPACN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C17H14N4O2S2/c1-11-8-12(17-20-14-4-2-3-5-15(14)24-17)6-7-13(11)21-25(22,23)16-9-18-10-19-16/h2-10,21H,1H3,(H,18,19)
InChIKeyGXTSOOQOVPAXMA-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.80
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide (PubChem CID 46392593) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide
PubChem CID46392593
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C17H14N4O2S2/c1-11-8-12(17-20-14-4-2-3-5-15(14)24-17)6-7-13(11)21-25(22,23)16-9-18-10-19-16/h2-10,21H,1H3,(H,18,19)
InChIKeyGXTSOOQOVPAXMA-UHFFFAOYSA-N
XLogP3.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

sodium N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]sulfamate
CID 23710157
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-cyanobenzenesulfonamide
CID 46392586
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3,4-dimethoxybenzenesulfonamide
CID 46392597
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714
4-methoxy-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylphenyl]benzenesulfonamide
CID 50835410
1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea
CID 46381228
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzenesulfonamide
CID 50835515
2-[4-[4,6-bis[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-1,3-benzothiazole
CID 139660511
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,6-dimethoxybenzamide
CID 46502802
5-(1,3-benzothiazol-2-yl)-2-methylaniline
CID 735970
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-methylbenzamide
CID 17132014

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide (CID 46392593) is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide is Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide?
The InChIKey is GXTSOOQOVPAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-11-8-12(17-20-14-4-2-3-5-15(14)24-17)6-7-13(11)21-25(22,23)16-9-18-10-19-16/h2-10,21H,1H3,(H,18,19).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide?
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 370.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 46392593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).