4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen

C17H24N4O3S — CID 162749495

IUPAC4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(NCC2=CCCC=C2)c(-c2nnc(C)o2)c1.[H][H].[H][H]
InChIInChI=1S/C17H20N4O3S.2H2/c1-12-20-21-17(24-12)15-10-14(25(22,23)18-2)8-9-16(15)19-11-13-6-4-3-5-7-13;;/h4,6-10,18-19H,3,5,11H2,1-2H3;2*1H
InChIKeyDKUPNCLVAGSOPW-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.13
Rot. Bonds6

About 4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 162749495) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen
PubChem CID162749495
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(NCC2=CCCC=C2)c(-c2nnc(C)o2)c1.[H][H].[H][H]
InChIInChI=1S/C17H20N4O3S.2H2/c1-12-20-21-17(24-12)15-10-14(25(22,23)18-2)8-9-16(15)19-11-13-6-4-3-5-7-13;;/h4,6-10,18-19H,3,5,11H2,1-2H3;2*1H
InChIKeyDKUPNCLVAGSOPW-UHFFFAOYSA-N
XLogP3.13
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 155342969
3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 60534651
4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098108
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine
CID 143994191
3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 106414398
3-(1H-imidazol-5-yl)-N-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 163393308
3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106369348
3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43449150
N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide
CID 43752019
4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393414

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 162749495) is 4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen is CNS(=O)(=O)c1ccc(NCC2=CCCC=C2)c(-c2nnc(C)o2)c1.[H][H].[H][H].
What is the InChIKey of 4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The InChIKey is DKUPNCLVAGSOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S.2H2/c1-12-20-21-17(24-12)15-10-14(25(22,23)18-2)8-9-16(15)19-11-13-6-4-3-5-7-13;;/h4,6-10,18-19H,3,5,11H2,1-2H3;2*1H.
What are the key properties of 4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen?
4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 364.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 162749495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).