3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C12H18ClN3O3S — CID 29266796

IUPAC3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C12H18ClN3O3S/c13-11-2-1-10(9-12(11)14)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8,14H2
InChIKeyCWQIYGARXTUJEP-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.53
Rot. Bonds5

About 3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 29266796) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID29266796
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C12H18ClN3O3S/c13-11-2-1-10(9-12(11)14)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8,14H2
InChIKeyCWQIYGARXTUJEP-UHFFFAOYSA-N
XLogP0.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924809
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6464011
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198
4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110316594

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 29266796) is 3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is CWQIYGARXTUJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c13-11-2-1-10(9-12(11)14)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8,14H2.
What are the key properties of 3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 319.81 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 29266796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).