4-chloro-3-morpholin-4-ylsulfonylaniline

C10H13ClN2O3S — CID 3158001

IUPAC4-chloro-3-morpholin-4-ylsulfonylaniline
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H13ClN2O3S/c11-9-2-1-8(12)7-10(9)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2
InChIKeyHJHVNNNCRKMFLQ-UHFFFAOYSA-N
MW276.74 g/mol
LogP0.94
Rot. Bonds2

About 4-chloro-3-morpholin-4-ylsulfonylaniline

4-chloro-3-morpholin-4-ylsulfonylaniline (PubChem CID 3158001) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.74 g/mol. Its IUPAC name is 4-chloro-3-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name4-chloro-3-morpholin-4-ylsulfonylaniline
PubChem CID3158001
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC Name4-chloro-3-morpholin-4-ylsulfonylaniline
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H13ClN2O3S/c11-9-2-1-8(12)7-10(9)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2
InChIKeyHJHVNNNCRKMFLQ-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

3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
3-(Morpholine-4-sulfonyl)aniline
CID 559410
2-chloro-N-[4-chloro-3-(morpholine-4-sulfonyl)phenyl]acetamide
CID 3816252
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 4851806
2-Chloro-5-(morpholine-4-sulfonyl)aniline
CID 3431157
4-((2-Chloro-5-nitrophenyl)sulfonyl)morpholine
CID 3688337
1-[4-Chloro-3-(4-morpholinylsulfonyl)phenyl]-3-phenylurea
CID 5128497
(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
[(2-Chloro-5-nitrophenyl)sulfonyl][4-(morpholin-4-ylsulfonyl)phenyl]amine
CID 4211620
5-amino-2-chloro-N,N-dimethylbenzene-1-sulfonamide
CID 3613938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-morpholin-4-ylsulfonylaniline?
The IUPAC name of 4-chloro-3-morpholin-4-ylsulfonylaniline (CID 3158001) is 4-chloro-3-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 4-chloro-3-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 4-chloro-3-morpholin-4-ylsulfonylaniline is Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-3-morpholin-4-ylsulfonylaniline?
The InChIKey is HJHVNNNCRKMFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c11-9-2-1-8(12)7-10(9)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2.
What are the key properties of 4-chloro-3-morpholin-4-ylsulfonylaniline?
4-chloro-3-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 4-chloro-3-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 3158001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).