3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide

C10H11Cl2NO3S — CID 110758530

IUPAC3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide
SMILESCOc1c(Cl)cc(Cl)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C10H11Cl2NO3S/c1-16-10-8(12)4-6(11)5-9(10)17(14,15)13-7-2-3-7/h4-5,7,13H,2-3H2,1H3
InChIKeyCUHAJFFWBBVEHJ-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.44
Rot. Bonds4

About 3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide

3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide (PubChem CID 110758530) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide
PubChem CID110758530
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide
SMILESCOc1c(Cl)cc(Cl)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C10H11Cl2NO3S/c1-16-10-8(12)4-6(11)5-9(10)17(14,15)13-7-2-3-7/h4-5,7,13H,2-3H2,1H3
InChIKeyCUHAJFFWBBVEHJ-UHFFFAOYSA-N
XLogP2.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551861
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
CID 110758543
3-(aminomethyl)-5-chloro-2-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052686
3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
CID 110758544
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
3,5-dichloro-N-cyclopropylbenzenesulfonamide
CID 26947993
3-bromo-5-chloro-2-methoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 55914799
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963329
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
CID 110758541
3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894182

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide (CID 110758530) is 3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide is COc1c(Cl)cc(Cl)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide?
The InChIKey is CUHAJFFWBBVEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c1-16-10-8(12)4-6(11)5-9(10)17(14,15)13-7-2-3-7/h4-5,7,13H,2-3H2,1H3.
What are the key properties of 3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide?
3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide has a molecular weight of 296.18 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 110758530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).