N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide

C18H25N3O4S — CID 2588973

IUPACN'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNC1=CCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H25N3O4S/c22-18(20-19-16-7-3-1-2-4-8-16)15-6-5-9-17(14-15)26(23,24)21-10-12-25-13-11-21/h5-7,9,14,19H,1-4,8,10-13H2,(H,20,22)
InChIKeyWVKLRWAHEOJCOD-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.79
Rot. Bonds5

About N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide

N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2588973) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2588973
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNC1=CCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H25N3O4S/c22-18(20-19-16-7-3-1-2-4-8-16)15-6-5-9-17(14-15)26(23,24)21-10-12-25-13-11-21/h5-7,9,14,19H,1-4,8,10-13H2,(H,20,22)
InChIKeyWVKLRWAHEOJCOD-UHFFFAOYSA-N
XLogP1.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N'-(cycloocten-1-yl)-4-(morpholin-4-ylmethyl)benzohydrazide
CID 3659350
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 99258291
3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
CID 86948603
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 42996196
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2588973) is N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide is O=C(NNC1=CCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is WVKLRWAHEOJCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c22-18(20-19-16-7-3-1-2-4-8-16)15-6-5-9-17(14-15)26(23,24)21-10-12-25-13-11-21/h5-7,9,14,19H,1-4,8,10-13H2,(H,20,22).
What are the key properties of N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 379.48 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2588973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).