3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide

C12H21N3O4S2 — CID 63862103

IUPAC3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)c1
InChIInChI=1S/C12H21N3O4S2/c1-9-5-10(13)7-11(6-9)21(18,19)14-8-12(2,3)15-20(4,16)17/h5-7,14-15H,8,13H2,1-4H3
InChIKeyFIBDXLDZFNGRGC-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.18
Rot. Bonds6

About 3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide

3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide (PubChem CID 63862103) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide
PubChem CID63862103
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC Name3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)c1
InChIInChI=1S/C12H21N3O4S2/c1-9-5-10(13)7-11(6-9)21(18,19)14-8-12(2,3)15-20(4,16)17/h5-7,14-15H,8,13H2,1-4H3
InChIKeyFIBDXLDZFNGRGC-UHFFFAOYSA-N
XLogP0.18
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 112647819
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263
N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
CID 63859195
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
CID 43256310
3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463608
3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
CID 60919745
4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
CID 103697603
3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 63824969
3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide
CID 64682575

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide (CID 63862103) is 3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)c1.
What is the InChIKey of 3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide?
The InChIKey is FIBDXLDZFNGRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-9-5-10(13)7-11(6-9)21(18,19)14-8-12(2,3)15-20(4,16)17/h5-7,14-15H,8,13H2,1-4H3.
What are the key properties of 3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide?
3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide has a molecular weight of 335.45 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 63862103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).