4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide

C14H21ClN2O4S — CID 49014960

IUPAC4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H21ClN2O4S/c1-10(2)21-8-4-7-16-14(18)11-5-6-12(15)13(9-11)17-22(3,19)20/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyRBGRREFUDBBOIT-UHFFFAOYSA-N
MW348.85 g/mol
LogP2.26
Rot. Bonds8

About 4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide

4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 49014960) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID49014960
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H21ClN2O4S/c1-10(2)21-8-4-7-16-14(18)11-5-6-12(15)13(9-11)17-22(3,19)20/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyRBGRREFUDBBOIT-UHFFFAOYSA-N
XLogP2.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
CID 60604741
4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
CID 100786729
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide
CID 49021281
4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
CID 49019461
4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide
CID 52514330
3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
CID 51078705
4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide
CID 95592917
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide (CID 49014960) is 4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is RBGRREFUDBBOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-10(2)21-8-4-7-16-14(18)11-5-6-12(15)13(9-11)17-22(3,19)20/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,16,18).
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide?
4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 348.85 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 49014960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).