3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide

C10H13ClN2O2S — CID 43264640

IUPAC3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C10H13ClN2O2S/c1-13(7-2-3-7)16(14,15)8-4-5-9(11)10(12)6-8/h4-7H,2-3,12H2,1H3
InChIKeyPFZHCYZCYJOPJN-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide

3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide (PubChem CID 43264640) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
PubChem CID43264640
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C10H13ClN2O2S/c1-13(7-2-3-7)16(14,15)8-4-5-9(11)10(12)6-8/h4-7H,2-3,12H2,1H3
InChIKeyPFZHCYZCYJOPJN-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257349
3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266875
3-amino-4-chloro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569761
3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide
CID 61125446
3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43345894
3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide
CID 115329664
3-amino-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303402
3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610678
2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62143938
3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105413736
3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610677

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide (CID 43264640) is 3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide is CN(C1CC1)S(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
The InChIKey is PFZHCYZCYJOPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-13(7-2-3-7)16(14,15)8-4-5-9(11)10(12)6-8/h4-7H,2-3,12H2,1H3.
What are the key properties of 3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide has a molecular weight of 260.75 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43264640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).