5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

C14H20ClNO4S — CID 82878733

IUPAC5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)N(C)C1CCOC1C
InChIInChI=1S/C14H20ClNO4S/c1-9-11(8-17)6-12(15)7-14(9)21(18,19)16(3)13-4-5-20-10(13)2/h6-7,10,13,17H,4-5,8H2,1-3H3
InChIKeySBIZUQNJCOMXSH-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.94
Rot. Bonds4

About 5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82878733) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82878733
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)N(C)C1CCOC1C
InChIInChI=1S/C14H20ClNO4S/c1-9-11(8-17)6-12(15)7-14(9)21(18,19)16(3)13-4-5-20-10(13)2/h6-7,10,13,17H,4-5,8H2,1-3H3
InChIKeySBIZUQNJCOMXSH-UHFFFAOYSA-N
XLogP1.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82879991
2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82745252
5-(chloromethyl)-3-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748457
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 82745499
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884636
5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 82891311
5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891157
2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735715
1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
CID 82745144
[4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol
CID 114845807
5-chloro-3-(hydroxymethyl)-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82891386
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82734442

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82878733) is 5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is Cc1c(CO)cc(Cl)cc1S(=O)(=O)N(C)C1CCOC1C.
What is the InChIKey of 5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is SBIZUQNJCOMXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-9-11(8-17)6-12(15)7-14(9)21(18,19)16(3)13-4-5-20-10(13)2/h6-7,10,13,17H,4-5,8H2,1-3H3.
What are the key properties of 5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 333.84 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82878733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).