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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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).