2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide

C14H21ClN2O3S — CID 106065187

IUPAC2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(Cl)c(S(=O)(=O)NC2CCCOC2)c1
InChIInChI=1S/C14H21ClN2O3S/c1-2-16-9-11-5-6-13(15)14(8-11)21(18,19)17-12-4-3-7-20-10-12/h5-6,8,12,16-17H,2-4,7,9-10H2,1H3
InChIKeyLCQCYKQNWQAFAM-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.91
Rot. Bonds6

About 2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide

2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide (PubChem CID 106065187) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
PubChem CID106065187
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(Cl)c(S(=O)(=O)NC2CCCOC2)c1
InChIInChI=1S/C14H21ClN2O3S/c1-2-16-9-11-5-6-13(15)14(8-11)21(18,19)17-12-4-3-7-20-10-12/h5-6,8,12,16-17H,2-4,7,9-10H2,1H3
InChIKeyLCQCYKQNWQAFAM-UHFFFAOYSA-N
XLogP1.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233
4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide
CID 63362034
2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065308
3-chloro-4-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065296
2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide
CID 106072319
5-chloro-3-(ethylaminomethyl)-2-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072508
5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106081559
2-chloro-4-methyl-5-nitro-N-[(3R)-oxan-3-yl]benzenesulfonamide
CID 97001248
2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide
CID 120998895
2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084371
2-bromo-5-(ethylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081365
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide (CID 106065187) is 2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide is CCNCc1ccc(Cl)c(S(=O)(=O)NC2CCCOC2)c1.
What is the InChIKey of 2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
The InChIKey is LCQCYKQNWQAFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-2-16-9-11-5-6-13(15)14(8-11)21(18,19)17-12-4-3-7-20-10-12/h5-6,8,12,16-17H,2-4,7,9-10H2,1H3.
What are the key properties of 2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106065187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).