5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline

C14H20ClN3O6S2 — CID 1161043

IUPAC5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
SMILESNc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H20ClN3O6S2/c15-11-9-12(16)14(26(21,22)18-3-7-24-8-4-18)10-13(11)25(19,20)17-1-5-23-6-2-17/h9-10H,1-8,16H2
InChIKeyZLZILTLINPYESW-UHFFFAOYSA-N
MW425.92 g/mol
LogP-0.04
Rot. Bonds4

About 5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline

5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline (PubChem CID 1161043) has the molecular formula C14H20ClN3O6S2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline.

Molecular Properties

Compound Name5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
PubChem CID1161043
Molecular FormulaC14H20ClN3O6S2
Molecular Weight425.92 g/mol
Exact Mass425.05
IUPAC Name5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
SMILESNc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H20ClN3O6S2/c15-11-9-12(16)14(26(21,22)18-3-7-24-8-4-18)10-13(11)25(19,20)17-1-5-23-6-2-17/h9-10H,1-8,16H2
InChIKeyZLZILTLINPYESW-UHFFFAOYSA-N
XLogP-0.04
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
4-chloro-2-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62987073
(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol
CID 59093503
4-amino-3-morpholin-4-ylsulfonylbenzoic acid
CID 89358468
2-bromo-5-chloro-3-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62987605
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine
CID 8009164
2,5-dichloro-4-piperazin-1-ylsulfonylaniline
CID 4739576
2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518137
3-chloro-4-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62986370
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
2-amino-6-morpholin-4-ylsulfonylphenol
CID 59675783

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline?
The IUPAC name of 5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline (CID 1161043) is 5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline.
What is the SMILES notation for 5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline?
The canonical SMILES for 5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline is Nc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline?
The InChIKey is ZLZILTLINPYESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O6S2/c15-11-9-12(16)14(26(21,22)18-3-7-24-8-4-18)10-13(11)25(19,20)17-1-5-23-6-2-17/h9-10H,1-8,16H2.
What are the key properties of 5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline?
5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline has a molecular weight of 425.92 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline is sourced from PubChem (CID 1161043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).