2-(3-methylbutylsulfonylamino)benzenesulfonamide

C11H18N2O4S2 — CID 63821952

IUPAC2-(3-methylbutylsulfonylamino)benzenesulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O4S2/c1-9(2)7-8-18(14,15)13-10-5-3-4-6-11(10)19(12,16)17/h3-6,9,13H,7-8H2,1-2H3,(H2,12,16,17)
InChIKeyRLSAFDMHTRUYCS-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.12
Rot. Bonds6

About 2-(3-methylbutylsulfonylamino)benzenesulfonamide

2-(3-methylbutylsulfonylamino)benzenesulfonamide (PubChem CID 63821952) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(3-methylbutylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-methylbutylsulfonylamino)benzenesulfonamide
PubChem CID63821952
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name2-(3-methylbutylsulfonylamino)benzenesulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O4S2/c1-9(2)7-8-18(14,15)13-10-5-3-4-6-11(10)19(12,16)17/h3-6,9,13H,7-8H2,1-2H3,(H2,12,16,17)
InChIKeyRLSAFDMHTRUYCS-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63855523
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide
CID 63856595
N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide
CID 81433817
3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide
CID 56573435
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
3-methyl-N-[2-(trifluoromethoxy)phenyl]butane-1-sulfonamide
CID 56532305
2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83188457
2-(difluoromethylsulfonylamino)benzenesulfonamide
CID 61132086
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672
N-(2-cyano-3-methylphenyl)-3-methylbutane-1-sulfonamide
CID 103920607
3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid
CID 113447522

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfonylamino)benzenesulfonamide?
The IUPAC name of 2-(3-methylbutylsulfonylamino)benzenesulfonamide (CID 63821952) is 2-(3-methylbutylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 2-(3-methylbutylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 2-(3-methylbutylsulfonylamino)benzenesulfonamide is CC(C)CCS(=O)(=O)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(3-methylbutylsulfonylamino)benzenesulfonamide?
The InChIKey is RLSAFDMHTRUYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-9(2)7-8-18(14,15)13-10-5-3-4-6-11(10)19(12,16)17/h3-6,9,13H,7-8H2,1-2H3,(H2,12,16,17).
What are the key properties of 2-(3-methylbutylsulfonylamino)benzenesulfonamide?
2-(3-methylbutylsulfonylamino)benzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 63821952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).