N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide

C11H16N2O4S — CID 78854970

IUPACN-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C11H16N2O4S/c1-12-18(16,17)10-5-3-9(4-6-10)11(15)13-7-2-8-14/h3-6,12,14H,2,7-8H2,1H3,(H,13,15)
InChIKeyVDHKJTXKTBUSBI-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.29
Rot. Bonds6

About N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide

N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide (PubChem CID 78854970) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
PubChem CID78854970
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C11H16N2O4S/c1-12-18(16,17)10-5-3-9(4-6-10)11(15)13-7-2-8-14/h3-6,12,14H,2,7-8H2,1H3,(H,13,15)
InChIKeyVDHKJTXKTBUSBI-UHFFFAOYSA-N
XLogP-0.29
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119234298
4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide
CID 98018400
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774274
N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide
CID 51219213
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
CID 96664940
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide (CID 78854970) is N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)NCCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide?
The InChIKey is VDHKJTXKTBUSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-12-18(16,17)10-5-3-9(4-6-10)11(15)13-7-2-8-14/h3-6,12,14H,2,7-8H2,1H3,(H,13,15).
What are the key properties of N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide?
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide has a molecular weight of 272.33 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 78854970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).