N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide

C23H24N2O5S2 — CID 1168367

IUPACN-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H24N2O5S2/c26-31(27,24-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20)21-11-13-22(14-12-21)32(28,29)25-15-17-30-18-16-25/h1-14,23-24H,15-18H2
InChIKeyYBHRRDMPIVOSNZ-UHFFFAOYSA-N
MW472.59 g/mol
LogP2.78
Rot. Bonds7

About N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 1168367) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID1168367
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC NameN-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H24N2O5S2/c26-31(27,24-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20)21-11-13-22(14-12-21)32(28,29)25-15-17-30-18-16-25/h1-14,23-24H,15-18H2
InChIKeyYBHRRDMPIVOSNZ-UHFFFAOYSA-N
XLogP2.78
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1320672
N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 18287855
N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119986541
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
CID 3508166
N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 119972318
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid
CID 57373716
N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 3904128

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 1168367) is N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is YBHRRDMPIVOSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c26-31(27,24-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20)21-11-13-22(14-12-21)32(28,29)25-15-17-30-18-16-25/h1-14,23-24H,15-18H2.
What are the key properties of N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 472.59 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 1168367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).