2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide

C13H20N2O4S2 — CID 63994997

IUPAC2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N
InChIInChI=1S/C13H20N2O4S2/c1-9(7-10-3-4-10)15-21(18,19)13-8-11(20(2,16)17)5-6-12(13)14/h5-6,8-10,15H,3-4,7,14H2,1-2H3
InChIKeyNQOHYHHTGOPYAF-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.14
Rot. Bonds6

About 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide

2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide (PubChem CID 63994997) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
PubChem CID63994997
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N
InChIInChI=1S/C13H20N2O4S2/c1-9(7-10-3-4-10)15-21(18,19)13-8-11(20(2,16)17)5-6-12(13)14/h5-6,8-10,15H,3-4,7,14H2,1-2H3
InChIKeyNQOHYHHTGOPYAF-UHFFFAOYSA-N
XLogP1.14
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-hexan-2-yl-5-methylsulfonylbenzenesulfonamide
CID 62198995
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
CID 63988907
3-amino-N-(1-cyclopropylpropan-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791897
2-amino-N-(cyclopropylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62145505
N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide
CID 63996191
5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974308
4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide
CID 82900800
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919425
N-(1-cyclohexylpropan-2-yl)-5-methylsulfonyl-2-(3-pyrimidin-2-ylazetidin-1-yl)benzenesulfonamide
CID 167812619
2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide
CID 62145782
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide (CID 63994997) is 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide is CC(CC1CC1)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N.
What is the InChIKey of 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide?
The InChIKey is NQOHYHHTGOPYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-9(7-10-3-4-10)15-21(18,19)13-8-11(20(2,16)17)5-6-12(13)14/h5-6,8-10,15H,3-4,7,14H2,1-2H3.
What are the key properties of 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide?
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 63994997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).