(NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine

C11H15N3O3S — CID 114809024

IUPAC(NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cccc(NS(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H15N3O3S/c1-8(12-15)9-3-2-4-11(7-9)14-18(16,17)13-10-5-6-10/h2-4,7,10,13-15H,5-6H2,1H3/b12-8-
InChIKeyIBWPIPBDNFURHH-WQLSENKSSA-N
MW269.33 g/mol
LogP1.29
Rot. Bonds5

About (NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine

(NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine (PubChem CID 114809024) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is (NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine
PubChem CID114809024
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name(NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cccc(NS(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H15N3O3S/c1-8(12-15)9-3-2-4-11(7-9)14-18(16,17)13-10-5-6-10/h2-4,7,10,13-15H,5-6H2,1H3/b12-8-
InChIKeyIBWPIPBDNFURHH-WQLSENKSSA-N
XLogP1.29
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616
N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]octane-1-sulfonamide
CID 6075879
5-bromo-4-chloro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 80577321
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
[3-(cyclopentylsulfamoylamino)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110614470
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiolane-3-carboxamide
CID 77021466
2-chloro-5-(cyclopropylsulfamoylamino)phenol
CID 114809187
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015759
N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide
CID 23592571
1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 13119872
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 107790866

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine (CID 114809024) is (NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine is C/C(=N/O)c1cccc(NS(=O)(=O)NC2CC2)c1.
What is the InChIKey of (NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine?
The InChIKey is IBWPIPBDNFURHH-WQLSENKSSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-8(12-15)9-3-2-4-11(7-9)14-18(16,17)13-10-5-6-10/h2-4,7,10,13-15H,5-6H2,1H3/b12-8-.
What are the key properties of (NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine has a molecular weight of 269.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[3-(cyclopropylsulfamoylamino)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 114809024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).