3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide

C14H20ClNO3S2 — CID 106000766

IUPAC3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide
SMILESCSC1(CNS(=O)(=O)c2ccc(CO)c(Cl)c2)CCCC1
InChIInChI=1S/C14H20ClNO3S2/c1-20-14(6-2-3-7-14)10-16-21(18,19)12-5-4-11(9-17)13(15)8-12/h4-5,8,16-17H,2-3,6-7,9-10H2,1H3
InChIKeyHUNUYOSPJMIUEF-UHFFFAOYSA-N
MW349.91 g/mol
LogP2.79
Rot. Bonds6

About 3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide

3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 106000766) has the molecular formula C14H20ClNO3S2 and a molecular weight of 349.91 g/mol. Its IUPAC name is 3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide
PubChem CID106000766
Molecular FormulaC14H20ClNO3S2
Molecular Weight349.91 g/mol
Exact Mass349.06
IUPAC Name3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide
SMILESCSC1(CNS(=O)(=O)c2ccc(CO)c(Cl)c2)CCCC1
InChIInChI=1S/C14H20ClNO3S2/c1-20-14(6-2-3-7-14)10-16-21(18,19)12-5-4-11(9-17)13(15)8-12/h4-5,8,16-17H,2-3,6-7,9-10H2,1H3
InChIKeyHUNUYOSPJMIUEF-UHFFFAOYSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001077
3-chloro-4-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 107270940
3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
CID 107090660
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 114116819
5-chloro-3-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106000853
5-chloro-2-fluoro-3-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106000824
1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106000807
4-[(1-methylsulfanylcyclobutyl)methylsulfamoyl]benzoic acid
CID 107266400
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000847
6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 107271026
3-chloro-4-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 107090907
3-bromo-4-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107270998

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide (CID 106000766) is 3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide is CSC1(CNS(=O)(=O)c2ccc(CO)c(Cl)c2)CCCC1.
What is the InChIKey of 3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is HUNUYOSPJMIUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S2/c1-20-14(6-2-3-7-14)10-16-21(18,19)12-5-4-11(9-17)13(15)8-12/h4-5,8,16-17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide?
3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 349.91 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106000766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).