N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide

C12H18N2O5S2 — CID 79559148

IUPACN-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
SMILESCC(C)(CNC(=O)c1ccc(S(N)(=O)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C12H18N2O5S2/c1-12(2,20(3,16)17)8-14-11(15)9-4-6-10(7-5-9)21(13,18)19/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,18,19)
InChIKeyHIGGNMDWFXVHOI-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.11
Rot. Bonds5

About N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide

N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide (PubChem CID 79559148) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
PubChem CID79559148
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
SMILESCC(C)(CNC(=O)c1ccc(S(N)(=O)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C12H18N2O5S2/c1-12(2,20(3,16)17)8-14-11(15)9-4-6-10(7-5-9)21(13,18)19/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,18,19)
InChIKeyHIGGNMDWFXVHOI-UHFFFAOYSA-N
XLogP-0.11
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
CID 53308643
N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
CID 47441752
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10325079
N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119629953
N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide
CID 59991350
4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359507
N-methylethanamine;N-propyl-4-sulfamoylbenzamide
CID 68599383
4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79558034
3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551523

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide (CID 79559148) is N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide is CC(C)(CNC(=O)c1ccc(S(N)(=O)=O)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide?
The InChIKey is HIGGNMDWFXVHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-12(2,20(3,16)17)8-14-11(15)9-4-6-10(7-5-9)21(13,18)19/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,18,19).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide?
N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide has a molecular weight of 334.42 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 79559148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).