3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide

C14H21ClN2O2S — CID 107091710

IUPAC3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCCC2CC2)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-16-10-12-6-7-13(9-14(12)15)20(18,19)17-8-2-3-11-4-5-11/h6-7,9,11,16-17H,2-5,8,10H2,1H3
InChIKeyMUHKEZDGTSTGPZ-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.53
Rot. Bonds8

About 3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide

3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 107091710) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID107091710
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCCC2CC2)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-16-10-12-6-7-13(9-14(12)15)20(18,19)17-8-2-3-11-4-5-11/h6-7,9,11,16-17H,2-5,8,10H2,1H3
InChIKeyMUHKEZDGTSTGPZ-UHFFFAOYSA-N
XLogP2.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106016313
3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091650
3-chloro-4-[(cyclopropylamino)methyl]-N-pentylbenzenesulfonamide
CID 106058257
3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide
CID 107091304
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256
3-chloro-4-(methylaminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082248
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106094503
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106094827
3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide
CID 107091648
3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106069106
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide (CID 107091710) is 3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCCCC2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is MUHKEZDGTSTGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-16-10-12-6-7-13(9-14(12)15)20(18,19)17-8-2-3-11-4-5-11/h6-7,9,11,16-17H,2-5,8,10H2,1H3.
What are the key properties of 3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide?
3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 107091710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).