N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C16H17ClN2O5S2 — CID 4851806

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H17ClN2O5S2/c17-15-7-6-14(26(22,23)19-8-10-24-11-9-19)12-16(15)18-25(20,21)13-4-2-1-3-5-13/h1-7,12,18H,8-11H2
InChIKeyXRFQRKKVZDHBTL-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.16
Rot. Bonds5

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 4851806) has the molecular formula C16H17ClN2O5S2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID4851806
Molecular FormulaC16H17ClN2O5S2
Molecular Weight416.91 g/mol
Exact Mass416.03
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H17ClN2O5S2/c17-15-7-6-14(26(22,23)19-8-10-24-11-9-19)12-16(15)18-25(20,21)13-4-2-1-3-5-13/h1-7,12,18H,8-11H2
InChIKeyXRFQRKKVZDHBTL-UHFFFAOYSA-N
XLogP2.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-Chloro-5-(morpholine-4-sulfonyl)aniline
CID 3431157
5-amino-N-(2,5-dichlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 3870175
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(cyclohexylamino)acetamide
CID 4464092
4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4794708
4-chloro-N-[3-(morpholin-4-yl)propyl]-3-nitrobenzene-1-sulfonamide hydrochloride
CID 15945419
(2-Chloro-4-sulfamoylanilino) morpholine-4-carbodithioate
CID 44269025
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 132191129
2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzenesulfonamide
CID 132191139
N-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzenesulfonamide
CID 132204178
N-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-3-fluoro-N-(3-fluorophenyl)sulfonylbenzenesulfonamide
CID 132204180

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 4851806) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is XRFQRKKVZDHBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5S2/c17-15-7-6-14(26(22,23)19-8-10-24-11-9-19)12-16(15)18-25(20,21)13-4-2-1-3-5-13/h1-7,12,18H,8-11H2.
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 416.91 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 4851806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).