N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide

C16H23ClN2O4S — CID 52539969

IUPACN-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23ClN2O4S/c1-3-4-7-18(2)16(20)13-5-6-14(17)15(12-13)24(21,22)19-8-10-23-11-9-19/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyDXSFVSGOMMFCJJ-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.23
Rot. Bonds6

About N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide

N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 52539969) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID52539969
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC NameN-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23ClN2O4S/c1-3-4-7-18(2)16(20)13-5-6-14(17)15(12-13)24(21,22)19-8-10-23-11-9-19/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyDXSFVSGOMMFCJJ-UHFFFAOYSA-N
XLogP2.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 60592193
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2359100
4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 134057878
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide
CID 55664196
N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856093
4-chloro-N-methyl-3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 43021977
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
4-chloro-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7581832
[(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-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 52539969) is N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide is CCCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DXSFVSGOMMFCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-3-4-7-18(2)16(20)13-5-6-14(17)15(12-13)24(21,22)19-8-10-23-11-9-19/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 374.89 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 52539969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).