2-chloro-5-morpholin-4-ylsulfonylaniline

C10H13ClN2O3S — CID 3431157

IUPAC2-chloro-5-morpholin-4-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C10H13ClN2O3S/c11-9-2-1-8(7-10(9)12)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2
InChIKeyGWICBNFRNOTAGU-UHFFFAOYSA-N
MW276.74 g/mol
LogP0.94
Rot. Bonds2

About 2-chloro-5-morpholin-4-ylsulfonylaniline

2-chloro-5-morpholin-4-ylsulfonylaniline (PubChem CID 3431157) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonylaniline
PubChem CID3431157
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC Name2-chloro-5-morpholin-4-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C10H13ClN2O3S/c11-9-2-1-8(7-10(9)12)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2
InChIKeyGWICBNFRNOTAGU-UHFFFAOYSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzenesulfonamide
CID 3689032
5-amino-N-(2-chlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 5010173
3-(Morpholine-4-sulfonyl)aniline
CID 559410
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 4851806
4-chloro-N-[3-(morpholin-4-yl)propyl]-3-nitrobenzene-1-sulfonamide hydrochloride
CID 15945419
(2-Chloro-4-sulfamoylanilino) morpholine-4-carbodithioate
CID 44269025
(3-Sulfamoylanilino) morpholine-4-carbodithioate
CID 44269028
N-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzenesulfonamide
CID 132204178
4-Chloro-N,N-bis-(2-methoxy-ethyl)-3-nitro-benzenesulfonamide
CID 44296991
4-Chloro-3-(morpholine-4-sulfonyl)-phenylamine
CID 3158001
4-Fluoro-3-(4-morpholinylsulfonyl)benzenamine
CID 3868145
2-Chloro-5-(pyrrolidine-1-sulfonyl)aniline
CID 2963514

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonylaniline?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonylaniline (CID 3431157) is 2-chloro-5-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonylaniline is Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonylaniline?
The InChIKey is GWICBNFRNOTAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c11-9-2-1-8(7-10(9)12)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2.
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonylaniline?
2-chloro-5-morpholin-4-ylsulfonylaniline has a molecular weight of 276.74 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 3431157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).