2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride

C11H16ClNO4S2 — CID 43272185

IUPAC2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
SMILESCC(C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClNO4S2/c1-9(2)8-13(3)19(16,17)11-7-5-4-6-10(11)18(12,14)15/h4-7,9H,8H2,1-3H3
InChIKeyHSKYUOMBTNEIIG-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.89
Rot. Bonds5

About 2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride

2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride (PubChem CID 43272185) has the molecular formula C11H16ClNO4S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
PubChem CID43272185
Molecular FormulaC11H16ClNO4S2
Molecular Weight325.84 g/mol
Exact Mass325.02
IUPAC Name2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
SMILESCC(C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClNO4S2/c1-9(2)8-13(3)19(16,17)11-7-5-4-6-10(11)18(12,14)15/h4-7,9H,8H2,1-3H3
InChIKeyHSKYUOMBTNEIIG-UHFFFAOYSA-N
XLogP1.89
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide
CID 63397262
2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55060829
N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
CID 115902788
2-(chloromethyl)-N-(2-methoxypropyl)-N-methylbenzenesulfonamide
CID 112754693
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271659
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 62957413
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 62143955
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 60846168
N-methyl-2-nitro-N-propan-2-ylbenzenesulfonamide;2-nitrobenzenesulfonyl chloride
CID 161416921
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387781

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride?
The IUPAC name of 2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride (CID 43272185) is 2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride is CC(C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride?
The InChIKey is HSKYUOMBTNEIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S2/c1-9(2)8-13(3)19(16,17)11-7-5-4-6-10(11)18(12,14)15/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride?
2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride has a molecular weight of 325.84 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 43272185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).