4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide

C18H27ClN2O4S — CID 42904495

IUPAC4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)CCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H27ClN2O4S/c1-13(2)4-5-14(3)20-18(22)15-6-7-16(19)17(12-15)26(23,24)21-8-10-25-11-9-21/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,20,22)
InChIKeyUJICMYIBEPLRBG-UHFFFAOYSA-N
MW402.94 g/mol
LogP2.92
Rot. Bonds7

About 4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 42904495) has the molecular formula C18H27ClN2O4S and a molecular weight of 402.94 g/mol. Its IUPAC name is 4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID42904495
Molecular FormulaC18H27ClN2O4S
Molecular Weight402.94 g/mol
Exact Mass402.14
IUPAC Name4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)CCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H27ClN2O4S/c1-13(2)4-5-14(3)20-18(22)15-6-7-16(19)17(12-15)26(23,24)21-8-10-25-11-9-21/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,20,22)
InChIKeyUJICMYIBEPLRBG-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.94
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
4-chloro-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7581832
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
4-chloro-N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18166551
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide
CID 18273667
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667091
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
[2-(2-methylpropylamino)-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667112
N-butan-2-yl-4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 55334658

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 42904495) is 4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide is CC(C)CCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UJICMYIBEPLRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4S/c1-13(2)4-5-14(3)20-18(22)15-6-7-16(19)17(12-15)26(23,24)21-8-10-25-11-9-21/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,20,22).
What are the key properties of 4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 402.94 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 42904495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).