2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

C14H19Cl2NO3S — CID 106000246

IUPAC2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(Cl)c(CO)c2Cl)C1
InChIInChI=1S/C14H19Cl2NO3S/c1-9-2-3-10(6-9)7-17-21(19,20)13-5-4-12(15)11(8-18)14(13)16/h4-5,9-10,17-18H,2-3,6-8H2,1H3
InChIKeyLDXJSOHNQFUCIL-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.20
Rot. Bonds5

About 2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 106000246) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is 2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID106000246
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(Cl)c(CO)c2Cl)C1
InChIInChI=1S/C14H19Cl2NO3S/c1-9-2-3-10(6-9)7-17-21(19,20)13-5-4-12(15)11(8-18)14(13)16/h4-5,9-10,17-18H,2-3,6-8H2,1H3
InChIKeyLDXJSOHNQFUCIL-UHFFFAOYSA-N
XLogP3.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000226
4-chloro-3-[(3-methylcyclopentyl)methylsulfamoyl]benzoic acid
CID 107411393
2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000293
2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107412513
3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119157
2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79360538
4-(bromomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414936
3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089995
3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106612261
2-amino-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107411108
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
N-[(3-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 107414868

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (CID 106000246) is 2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is CC1CCC(CNS(=O)(=O)c2ccc(Cl)c(CO)c2Cl)C1.
What is the InChIKey of 2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is LDXJSOHNQFUCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-9-2-3-10(6-9)7-17-21(19,20)13-5-4-12(15)11(8-18)14(13)16/h4-5,9-10,17-18H,2-3,6-8H2,1H3.
What are the key properties of 2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 352.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106000246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).