4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide

C11H17ClN2O3S — CID 113288423

IUPAC4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H17ClN2O3S/c1-3-17-7-8(2)14-18(15,16)9-4-5-11(13)10(12)6-9/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyDDDRZUKRTCTOJI-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.63
Rot. Bonds6

About 4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide

4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide (PubChem CID 113288423) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
PubChem CID113288423
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H17ClN2O3S/c1-3-17-7-8(2)14-18(15,16)9-4-5-11(13)10(12)6-9/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyDDDRZUKRTCTOJI-UHFFFAOYSA-N
XLogP1.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-cyano-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 112686588
4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 115330116
4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836
5-chloro-N-(1-ethoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608286
4-(aminomethyl)-N-(1-ethoxypropan-2-yl)-3-methylbenzenesulfonamide
CID 106919310
3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 63288410
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide
CID 62156801
N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide
CID 106054288
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957290
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide (CID 113288423) is 4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide is CCOCC(C)NS(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide?
The InChIKey is DDDRZUKRTCTOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-3-17-7-8(2)14-18(15,16)9-4-5-11(13)10(12)6-9/h4-6,8,14H,3,7,13H2,1-2H3.
What are the key properties of 4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide?
4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113288423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).