3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide

C15H16ClNO5S2 — CID 39829723

IUPAC3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO5S2/c1-3-23(18,19)12-6-4-11(5-7-12)17-24(20,21)13-8-9-15(22-2)14(16)10-13/h4-10,17H,3H2,1-2H3
InChIKeyUCOUQQIIXDKQPE-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.94
Rot. Bonds6

About 3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide

3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 39829723) has the molecular formula C15H16ClNO5S2 and a molecular weight of 389.88 g/mol. Its IUPAC name is 3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
PubChem CID39829723
Molecular FormulaC15H16ClNO5S2
Molecular Weight389.88 g/mol
Exact Mass389.02
IUPAC Name3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO5S2/c1-3-23(18,19)12-6-4-11(5-7-12)17-24(20,21)13-8-9-15(22-2)14(16)10-13/h4-10,17H,3H2,1-2H3
InChIKeyUCOUQQIIXDKQPE-UHFFFAOYSA-N
XLogP2.94
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 2975219
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide
CID 113098500
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxybenzenesulfonamide
CID 42448515
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide
CID 110730867
3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 39827484

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide (CID 39829723) is 3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide is CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is UCOUQQIIXDKQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO5S2/c1-3-23(18,19)12-6-4-11(5-7-12)17-24(20,21)13-8-9-15(22-2)14(16)10-13/h4-10,17H,3H2,1-2H3.
What are the key properties of 3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide?
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 389.88 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 39829723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).