2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide

C18H21N3O4S — CID 171989528

IUPAC2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccccc1
InChIInChI=1S/C18H21N3O4S/c19-18(22)16-12-15(26(23,24)21-8-10-25-11-9-21)6-7-17(16)20-13-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2,(H2,19,22)
InChIKeyHCOUNFZJUFBRPM-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.42
Rot. Bonds6

About 2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide

2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 171989528) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID171989528
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccccc1
InChIInChI=1S/C18H21N3O4S/c19-18(22)16-12-15(26(23,24)21-8-10-25-11-9-21)6-7-17(16)20-13-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2,(H2,19,22)
InChIKeyHCOUNFZJUFBRPM-UHFFFAOYSA-N
XLogP1.42
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 2867352
2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
CID 103606245
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 100507560
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide
CID 55360382
2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824752
2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
CID 17484284
benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
CID 24643713
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 34584461
2-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide (CID 171989528) is 2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide is NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HCOUNFZJUFBRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c19-18(22)16-12-15(26(23,24)21-8-10-25-11-9-21)6-7-17(16)20-13-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2,(H2,19,22).
What are the key properties of 2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide?
2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 375.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 171989528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).