N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide

C15H27N3O4S2 — CID 15599388

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide
SMILESCC(C)N(CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)C(C)C
InChIInChI=1S/C15H27N3O4S2/c1-12(2)18(13(3)4)11-10-16-24(21,22)15-8-6-14(7-9-15)17-23(5,19)20/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyHWFCXIHJRGCALX-UHFFFAOYSA-N
MW377.53 g/mol
LogP1.46
Rot. Bonds9

About N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide

N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide (PubChem CID 15599388) has the molecular formula C15H27N3O4S2 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide
PubChem CID15599388
Molecular FormulaC15H27N3O4S2
Molecular Weight377.53 g/mol
Exact Mass377.14
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide
SMILESCC(C)N(CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)C(C)C
InChIInChI=1S/C15H27N3O4S2/c1-12(2)18(13(3)4)11-10-16-24(21,22)15-8-6-14(7-9-15)17-23(5,19)20/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyHWFCXIHJRGCALX-UHFFFAOYSA-N
XLogP1.46
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075
N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide
CID 67599725
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-propan-2-ylamino]ethyl]benzenesulfonamide
CID 3989859
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546298
N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
CID 20769759
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065032
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823042
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide (CID 15599388) is N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide is CC(C)N(CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide?
The InChIKey is HWFCXIHJRGCALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S2/c1-12(2)18(13(3)4)11-10-16-24(21,22)15-8-6-14(7-9-15)17-23(5,19)20/h6-9,12-13,16-17H,10-11H2,1-5H3.
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide?
N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide has a molecular weight of 377.53 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 15599388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).