N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide

C19H29ClN2O4S — CID 60592193

IUPACN-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(C)CC
InChIInChI=1S/C19H29ClN2O4S/c1-4-6-9-22(15(3)5-2)19(23)16-7-8-17(20)18(14-16)27(24,25)21-10-12-26-13-11-21/h7-8,14-15H,4-6,9-13H2,1-3H3
InChIKeyBWFDVDXZBUSGGA-UHFFFAOYSA-N
MW416.97 g/mol
LogP3.40
Rot. Bonds8

About N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide

N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 60592193) has the molecular formula C19H29ClN2O4S and a molecular weight of 416.97 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID60592193
Molecular FormulaC19H29ClN2O4S
Molecular Weight416.97 g/mol
Exact Mass416.15
IUPAC NameN-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(C)CC
InChIInChI=1S/C19H29ClN2O4S/c1-4-6-9-22(15(3)5-2)19(23)16-7-8-17(20)18(14-16)27(24,25)21-10-12-26-13-11-21/h7-8,14-15H,4-6,9-13H2,1-3H3
InChIKeyBWFDVDXZBUSGGA-UHFFFAOYSA-N
XLogP3.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.97
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 52539969
4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide
CID 55664196
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2359100
N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 18190315
N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 75854481
4-chloro-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7581832
4-chloro-N-methyl-3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 43021977
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667091
N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856093
[2-(2-methylpropylamino)-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667112
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 9416375

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide (CID 60592193) is N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide is CCCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BWFDVDXZBUSGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O4S/c1-4-6-9-22(15(3)5-2)19(23)16-7-8-17(20)18(14-16)27(24,25)21-10-12-26-13-11-21/h7-8,14-15H,4-6,9-13H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 416.97 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 60592193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).