[2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate

C16H14N2O5S3 — CID 57340181

IUPAC[2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate
SMILESNS(=O)(=O)OCc1csc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C16H14N2O5S3/c17-26(21,22)23-10-13-11-24-16(18-13)12-6-8-15(9-7-12)25(19,20)14-4-2-1-3-5-14/h1-9,11H,10H2,(H2,17,21,22)
InChIKeyQMENHRQBUNHPJP-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.36
Rot. Bonds6

About [2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate

[2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate (PubChem CID 57340181) has the molecular formula C16H14N2O5S3 and a molecular weight of 410.50 g/mol. Its IUPAC name is [2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate.

Molecular Properties

Compound Name[2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate
PubChem CID57340181
Molecular FormulaC16H14N2O5S3
Molecular Weight410.50 g/mol
Exact Mass410.01
IUPAC Name[2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate
SMILESNS(=O)(=O)OCc1csc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C16H14N2O5S3/c17-26(21,22)23-10-13-11-24-16(18-13)12-6-8-15(9-7-12)25(19,20)14-4-2-1-3-5-14/h1-9,11H,10H2,(H2,17,21,22)
InChIKeyQMENHRQBUNHPJP-UHFFFAOYSA-N
XLogP2.36
TPSA116.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}morpholine
CID 829818
N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 887333
2-[4-(Phenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2a
CID 57340178
2-[4-(4-Chlorophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamate, 3b
CID 57340182
2-[4-(4-Bromophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamate, 3c
CID 57340183
4-{4-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
CID 9356437
N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
CID 118362921
N-((2-phenylthiazol-4-yl)methyl)benzenesulfonamide
CID 16012465
4-{[3-(2-Phenyl-1,3-thiazol-4-yl)phenyl]sulfonyl}morpholine
CID 662742
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2110219
N-{2-[2-(3-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}-4-methylbenzene-1-sulfonamide
CID 7216718
N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 118362913

Frequently Asked Questions

What is the IUPAC name of [2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate?
The IUPAC name of [2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate (CID 57340181) is [2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate.
What is the SMILES notation for [2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate?
The canonical SMILES for [2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate is NS(=O)(=O)OCc1csc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n1.
What is the InChIKey of [2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate?
The InChIKey is QMENHRQBUNHPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S3/c17-26(21,22)23-10-13-11-24-16(18-13)12-6-8-15(9-7-12)25(19,20)14-4-2-1-3-5-14/h1-9,11H,10H2,(H2,17,21,22).
What are the key properties of [2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate?
[2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate has a molecular weight of 410.50 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(benzenesulfonyl)phenyl]-1,3-thiazol-4-yl]methyl sulfamate is sourced from PubChem (CID 57340181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).