N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide

C18H33N3O2S2 — CID 2830960

IUPACN-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide
SMILESCC(C)N(C(C)C)S(=NS(=O)(=O)c1ccccc1)N(C(C)C)C(C)C
InChIInChI=1S/C18H33N3O2S2/c1-14(2)20(15(3)4)24(21(16(5)6)17(7)8)19-25(22,23)18-12-10-9-11-13-18/h9-17H,1-8H3
InChIKeyJUQGVMKABKLRSY-UHFFFAOYSA-N
MW387.62 g/mol
LogP4.24
Rot. Bonds8

About N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide

N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide (PubChem CID 2830960) has the molecular formula C18H33N3O2S2 and a molecular weight of 387.62 g/mol. Its IUPAC name is N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide
PubChem CID2830960
Molecular FormulaC18H33N3O2S2
Molecular Weight387.62 g/mol
Exact Mass387.20
IUPAC NameN-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide
SMILESCC(C)N(C(C)C)S(=NS(=O)(=O)c1ccccc1)N(C(C)C)C(C)C
InChIInChI=1S/C18H33N3O2S2/c1-14(2)20(15(3)4)24(21(16(5)6)17(7)8)19-25(22,23)18-12-10-9-11-13-18/h9-17H,1-8H3
InChIKeyJUQGVMKABKLRSY-UHFFFAOYSA-N
XLogP4.24
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.62
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide?
The IUPAC name of N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide (CID 2830960) is N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide is CC(C)N(C(C)C)S(=NS(=O)(=O)c1ccccc1)N(C(C)C)C(C)C.
What is the InChIKey of N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide?
The InChIKey is JUQGVMKABKLRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2S2/c1-14(2)20(15(3)4)24(21(16(5)6)17(7)8)19-25(22,23)18-12-10-9-11-13-18/h9-17H,1-8H3.
What are the key properties of N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide?
N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide has a molecular weight of 387.62 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[di(propan-2-yl)amino]-lambda4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 2830960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).