3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide

C14H21ClN2O2S — CID 107091650

IUPAC3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC(C)C2CC2)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-10(11-3-4-11)8-17-20(18,19)13-6-5-12(9-16-2)14(15)7-13/h5-7,10-11,16-17H,3-4,8-9H2,1-2H3
InChIKeyCUYVJBWYSLEUHS-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.38
Rot. Bonds7

About 3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide

3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 107091650) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID107091650
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC(C)C2CC2)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-10(11-3-4-11)8-17-20(18,19)13-6-5-12(9-16-2)14(15)7-13/h5-7,10-11,16-17H,3-4,8-9H2,1-2H3
InChIKeyCUYVJBWYSLEUHS-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 107091649
3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091710
3-chloro-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107091328
3-chloro-4-(methylaminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082248
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106094827
3-chloro-N-(4-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106060808
3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide
CID 107091648
3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479
3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106069106
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256
4-chloro-3-(methylaminomethyl)-N-(thian-4-ylmethyl)benzenesulfonamide
CID 106078532
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide (CID 107091650) is 3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCC(C)C2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is CUYVJBWYSLEUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10(11-3-4-11)8-17-20(18,19)13-6-5-12(9-16-2)14(15)7-13/h5-7,10-11,16-17H,3-4,8-9H2,1-2H3.
What are the key properties of 3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide?
3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 107091650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).