4-(butylsulfonylamino)-3-methylbenzenesulfonamide

C11H18N2O4S2 — CID 43246859

IUPAC4-(butylsulfonylamino)-3-methylbenzenesulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C11H18N2O4S2/c1-3-4-7-18(14,15)13-11-6-5-10(8-9(11)2)19(12,16)17/h5-6,8,13H,3-4,7H2,1-2H3,(H2,12,16,17)
InChIKeyZVMQEUKTFULUJK-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.18
Rot. Bonds6

About 4-(butylsulfonylamino)-3-methylbenzenesulfonamide

4-(butylsulfonylamino)-3-methylbenzenesulfonamide (PubChem CID 43246859) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(butylsulfonylamino)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(butylsulfonylamino)-3-methylbenzenesulfonamide
PubChem CID43246859
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name4-(butylsulfonylamino)-3-methylbenzenesulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C11H18N2O4S2/c1-3-4-7-18(14,15)13-11-6-5-10(8-9(11)2)19(12,16)17/h5-6,8,13H,3-4,7H2,1-2H3,(H2,12,16,17)
InChIKeyZVMQEUKTFULUJK-UHFFFAOYSA-N
XLogP1.18
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide
CID 43246862
4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide
CID 64987508
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide
CID 63290463
3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide
CID 60910330
3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 43654466
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfonylamino)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(butylsulfonylamino)-3-methylbenzenesulfonamide (CID 43246859) is 4-(butylsulfonylamino)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(butylsulfonylamino)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(butylsulfonylamino)-3-methylbenzenesulfonamide is CCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1C.
What is the InChIKey of 4-(butylsulfonylamino)-3-methylbenzenesulfonamide?
The InChIKey is ZVMQEUKTFULUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-3-4-7-18(14,15)13-11-6-5-10(8-9(11)2)19(12,16)17/h5-6,8,13H,3-4,7H2,1-2H3,(H2,12,16,17).
What are the key properties of 4-(butylsulfonylamino)-3-methylbenzenesulfonamide?
4-(butylsulfonylamino)-3-methylbenzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfonylamino)-3-methylbenzenesulfonamide is sourced from PubChem (CID 43246859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).