4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide

C14H20ClNO2S — CID 103737625

IUPAC4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(CCCl)cc2)CCC1
InChIInChI=1S/C14H20ClNO2S/c1-14(8-2-9-14)11-16-19(17,18)13-5-3-12(4-6-13)7-10-15/h3-6,16H,2,7-11H2,1H3
InChIKeyVVEOTTOYPFEWCP-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.94
Rot. Bonds6

About 4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide

4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide (PubChem CID 103737625) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
PubChem CID103737625
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(CCCl)cc2)CCC1
InChIInChI=1S/C14H20ClNO2S/c1-14(8-2-9-14)11-16-19(17,18)13-5-3-12(4-6-13)7-10-15/h3-6,16H,2,7-11H2,1H3
InChIKeyVVEOTTOYPFEWCP-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroethyl)-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 103743776
4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 65481827
4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 114108588
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
4-(2-chloroethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271443
4-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720120
4-(2-chloroethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 62694206
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 43662571
4-(2-chloroethyl)-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 28719373
3-chloro-4-cyano-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737647
N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106091027
4-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090703

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide (CID 103737625) is 4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2ccc(CCCl)cc2)CCC1.
What is the InChIKey of 4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
The InChIKey is VVEOTTOYPFEWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-14(8-2-9-14)11-16-19(17,18)13-5-3-12(4-6-13)7-10-15/h3-6,16H,2,7-11H2,1H3.
What are the key properties of 4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide has a molecular weight of 301.84 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103737625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).