2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide

C17H16Cl3NO2S — CID 164615534

IUPAC2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1N(CC1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl3NO2S/c1-11-8-13(18)5-7-16(11)21(10-12-2-3-12)24(22,23)17-9-14(19)4-6-15(17)20/h4-9,12H,2-3,10H2,1H3
InChIKeyUXCTVKQSADWCJF-UHFFFAOYSA-N
MW404.75 g/mol
LogP5.56
Rot. Bonds5

About 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide

2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide (PubChem CID 164615534) has the molecular formula C17H16Cl3NO2S and a molecular weight of 404.75 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide
PubChem CID164615534
Molecular FormulaC17H16Cl3NO2S
Molecular Weight404.75 g/mol
Exact Mass403.00
IUPAC Name2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1N(CC1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl3NO2S/c1-11-8-13(18)5-7-16(11)21(10-12-2-3-12)24(22,23)17-9-14(19)4-6-15(17)20/h4-9,12H,2-3,10H2,1H3
InChIKeyUXCTVKQSADWCJF-UHFFFAOYSA-N
XLogP5.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.75
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide (CID 164615534) is 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide is Cc1cc(Cl)ccc1N(CC1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The InChIKey is UXCTVKQSADWCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO2S/c1-11-8-13(18)5-7-16(11)21(10-12-2-3-12)24(22,23)17-9-14(19)4-6-15(17)20/h4-9,12H,2-3,10H2,1H3.
What are the key properties of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide?
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide has a molecular weight of 404.75 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 164615534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).