2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide

C14H21ClN2O3S — CID 63825304

IUPAC2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide
SMILESNc1cccc(Cl)c1S(=O)(=O)NCCOC1CCCCC1
InChIInChI=1S/C14H21ClN2O3S/c15-12-7-4-8-13(16)14(12)21(18,19)17-9-10-20-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10,16H2
InChIKeyYGYMIDKNZYMTJV-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.55
Rot. Bonds6

About 2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide

2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide (PubChem CID 63825304) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide
PubChem CID63825304
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide
SMILESNc1cccc(Cl)c1S(=O)(=O)NCCOC1CCCCC1
InChIInChI=1S/C14H21ClN2O3S/c15-12-7-4-8-13(16)14(12)21(18,19)17-9-10-20-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10,16H2
InChIKeyYGYMIDKNZYMTJV-UHFFFAOYSA-N
XLogP2.55
TPSA81.42 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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
CID 63825126
3-chloro-2-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63823896
3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
CID 103306082
1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63824243
1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
CID 86972438
2-amino-6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62977744
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide
CID 106392649
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide (CID 63825304) is 2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide is Nc1cccc(Cl)c1S(=O)(=O)NCCOC1CCCCC1.
What is the InChIKey of 2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The InChIKey is YGYMIDKNZYMTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c15-12-7-4-8-13(16)14(12)21(18,19)17-9-10-20-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10,16H2.
What are the key properties of 2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide is sourced from PubChem (CID 63825304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).