N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide

C14H17BrN4O3S — CID 40655707

IUPACN-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide
SMILESCCn1cc(Br)c(/C(C)=N\NS(=O)(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C14H17BrN4O3S/c1-4-19-9-13(15)14(17-19)10(2)16-18-23(20,21)12-7-5-11(22-3)6-8-12/h5-9,18H,4H2,1-3H3/b16-10-
InChIKeyVZVBCBZYMAKZRU-YBEGLDIGSA-N
MW401.29 g/mol
LogP2.38
Rot. Bonds6

About N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide

N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 40655707) has the molecular formula C14H17BrN4O3S and a molecular weight of 401.29 g/mol. Its IUPAC name is N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide
PubChem CID40655707
Molecular FormulaC14H17BrN4O3S
Molecular Weight401.29 g/mol
Exact Mass400.02
IUPAC NameN-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide
SMILESCCn1cc(Br)c(/C(C)=N\NS(=O)(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C14H17BrN4O3S/c1-4-19-9-13(15)14(17-19)10(2)16-18-23(20,21)12-7-5-11(22-3)6-8-12/h5-9,18H,4H2,1-3H3/b16-10-
InChIKeyVZVBCBZYMAKZRU-YBEGLDIGSA-N
XLogP2.38
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
CID 5454922
4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide
CID 3925592
4-bromo-1-ethyl-N-[(4-methoxyphenyl)carbamothioyl]pyrazole-3-carboxamide
CID 3435911
4-bromo-N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]benzenesulfonamide
CID 9120965
4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide
CID 4279962
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide
CID 19267393
4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
CID 19355888
4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide
CID 176514673
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide (CID 40655707) is N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide is CCn1cc(Br)c(/C(C)=N\NS(=O)(=O)c2ccc(OC)cc2)n1.
What is the InChIKey of N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is VZVBCBZYMAKZRU-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H17BrN4O3S/c1-4-19-9-13(15)14(17-19)10(2)16-18-23(20,21)12-7-5-11(22-3)6-8-12/h5-9,18H,4H2,1-3H3/b16-10-.
What are the key properties of N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide?
N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 401.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 40655707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).