4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride

C11H16ClNO4S2 — CID 43273019

IUPAC4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride
SMILESCCC(C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H16ClNO4S2/c1-4-9(2)13(3)19(16,17)11-7-5-10(6-8-11)18(12,14)15/h5-9H,4H2,1-3H3
InChIKeyQADCJYFOOXSHOD-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.03
Rot. Bonds5

About 4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride

4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride (PubChem CID 43273019) has the molecular formula C11H16ClNO4S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride
PubChem CID43273019
Molecular FormulaC11H16ClNO4S2
Molecular Weight325.84 g/mol
Exact Mass325.02
IUPAC Name4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride
SMILESCCC(C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H16ClNO4S2/c1-4-9(2)13(3)19(16,17)11-7-5-10(6-8-11)18(12,14)15/h5-9H,4H2,1-3H3
InChIKeyQADCJYFOOXSHOD-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824808
2-[4-[butan-2-yl(methyl)sulfamoyl]phenyl]ethanethioamide
CID 79185920
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048
4-[(2R)-butan-2-yl]benzenesulfonyl chloride
CID 98062552
N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide
CID 60916490
2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide
CID 62143579
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
N-(1-bromopropan-2-yl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 104556395
N-butan-2-yl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 75448171
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride
CID 98235111
4-[butan-2-yl(methyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920014

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride (CID 43273019) is 4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride is CCC(C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride?
The InChIKey is QADCJYFOOXSHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S2/c1-4-9(2)13(3)19(16,17)11-7-5-10(6-8-11)18(12,14)15/h5-9H,4H2,1-3H3.
What are the key properties of 4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride?
4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride has a molecular weight of 325.84 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 43273019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).