N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide

C16H17ClFNO4S — CID 170730204

IUPACN-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)CO)c2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H17ClFNO4S/c1-11-5-7-13(8-6-11)24(22,23)19(9-12(21)10-20)15-4-2-3-14(17)16(15)18/h2-8,12,20-21H,9-10H2,1H3
InChIKeyCGRQZUYVDSAXQH-UHFFFAOYSA-N
MW373.83 g/mol
LogP2.34
Rot. Bonds6

About N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide

N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide (PubChem CID 170730204) has the molecular formula C16H17ClFNO4S and a molecular weight of 373.83 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide
PubChem CID170730204
Molecular FormulaC16H17ClFNO4S
Molecular Weight373.83 g/mol
Exact Mass373.06
IUPAC NameN-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)CO)c2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H17ClFNO4S/c1-11-5-7-13(8-6-11)24(22,23)19(9-12(21)10-20)15-4-2-3-14(17)16(15)18/h2-8,12,20-21H,9-10H2,1H3
InChIKeyCGRQZUYVDSAXQH-UHFFFAOYSA-N
XLogP2.34
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.83
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide (CID 170730204) is N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(O)CO)c2cccc(Cl)c2F)cc1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide?
The InChIKey is CGRQZUYVDSAXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO4S/c1-11-5-7-13(8-6-11)24(22,23)19(9-12(21)10-20)15-4-2-3-14(17)16(15)18/h2-8,12,20-21H,9-10H2,1H3.
What are the key properties of N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide?
N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide has a molecular weight of 373.83 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-N-(2,3-dihydroxypropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 170730204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).