4-chloro-3-(methanesulfonamido)-N-nonylbenzamide

C17H27ClN2O3S — CID 60604741

IUPAC4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C17H27ClN2O3S/c1-3-4-5-6-7-8-9-12-19-17(21)14-10-11-15(18)16(13-14)20-24(2,22)23/h10-11,13,20H,3-9,12H2,1-2H3,(H,19,21)
InChIKeyWZZJTYVKDNMKGG-UHFFFAOYSA-N
MW374.93 g/mol
LogP4.19
Rot. Bonds11

About 4-chloro-3-(methanesulfonamido)-N-nonylbenzamide

4-chloro-3-(methanesulfonamido)-N-nonylbenzamide (PubChem CID 60604741) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-nonylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
PubChem CID60604741
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC Name4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C17H27ClN2O3S/c1-3-4-5-6-7-8-9-12-19-17(21)14-10-11-15(18)16(13-14)20-24(2,22)23/h10-11,13,20H,3-9,12H2,1-2H3,(H,19,21)
InChIKeyWZZJTYVKDNMKGG-UHFFFAOYSA-N
XLogP4.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
CID 32646922
4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide
CID 49014960
4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide
CID 49021281
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
CID 49019461
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide
CID 95592917
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
N-hexyl-3,4-dimethylbenzamide
CID 4523484
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481
4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide
CID 52514330

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-nonylbenzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-nonylbenzamide (CID 60604741) is 4-chloro-3-(methanesulfonamido)-N-nonylbenzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-nonylbenzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-nonylbenzamide is CCCCCCCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-nonylbenzamide?
The InChIKey is WZZJTYVKDNMKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3S/c1-3-4-5-6-7-8-9-12-19-17(21)14-10-11-15(18)16(13-14)20-24(2,22)23/h10-11,13,20H,3-9,12H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-nonylbenzamide?
4-chloro-3-(methanesulfonamido)-N-nonylbenzamide has a molecular weight of 374.93 g/mol, XLogP of 4.19, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-nonylbenzamide is sourced from PubChem (CID 60604741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).