N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C16H13ClN2O5S2 — CID 1488710

IUPACN-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C16H13ClN2O5S2/c1-12-15(17)16(24-18-12)19(25(20,21)13-8-4-2-5-9-13)26(22,23)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyZRONRFOCUFRXBI-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.22
Rot. Bonds5

About N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 1488710) has the molecular formula C16H13ClN2O5S2 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID1488710
Molecular FormulaC16H13ClN2O5S2
Molecular Weight412.88 g/mol
Exact Mass412.00
IUPAC NameN-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C16H13ClN2O5S2/c1-12-15(17)16(24-18-12)19(25(20,21)13-8-4-2-5-9-13)26(22,23)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyZRONRFOCUFRXBI-UHFFFAOYSA-N
XLogP3.22
TPSA97.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-phenyl-N-(4-phenylphenyl)sulfonylbenzenesulfonamide
CID 15453171
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide
CID 54316664
N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 71935895
4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine
CID 555200
N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide
CID 58357226
N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
CID 6662
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide
CID 141224668
N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide
CID 5117636
benzene;benzenesulfonyl chloride
CID 87647314
N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide
CID 174341031
4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide
CID 4277205
N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 14611924

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 1488710) is N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1noc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1Cl.
What is the InChIKey of N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is ZRONRFOCUFRXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O5S2/c1-12-15(17)16(24-18-12)19(25(20,21)13-8-4-2-5-9-13)26(22,23)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 412.88 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 1488710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).