4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene

C10H11ClN2O3S — CID 114959515

IUPAC4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cc(Cl)ccc1C#CCCO
InChIInChI=1S/C10H11ClN2O3S/c11-9-5-4-8(3-1-2-6-14)10(7-9)13-17(12,15)16/h4-5,7,13-14H,2,6H2,(H2,12,15,16)
InChIKeyPPIKUFKPDHTKAM-UHFFFAOYSA-N
MW274.73 g/mol
LogP0.69
Rot. Bonds3

About 4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene

4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene (PubChem CID 114959515) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene.

Molecular Properties

Compound Name4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene
PubChem CID114959515
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cc(Cl)ccc1C#CCCO
InChIInChI=1S/C10H11ClN2O3S/c11-9-5-4-8(3-1-2-6-14)10(7-9)13-17(12,15)16/h4-5,7,13-14H,2,6H2,(H2,12,15,16)
InChIKeyPPIKUFKPDHTKAM-UHFFFAOYSA-N
XLogP0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]propanamide
CID 81271553
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 81270405
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1-methylsulfonylmethanesulfonamide
CID 82843377
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103021919
3-[4-chloro-2-(propan-2-ylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811993
4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
CID 28895885
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypropane-1-sulfonamide
CID 81280257
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-ethoxyacetamide
CID 81270719
2-tert-butylsulfanyl-N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 81267904
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2H-triazole-4-carboxamide
CID 81270807
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide
CID 81269570
4-chloro-1-fluoro-2-(sulfamoylamino)benzene
CID 112573776

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene?
The IUPAC name of 4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene (CID 114959515) is 4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene.
What is the SMILES notation for 4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene?
The canonical SMILES for 4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene is NS(=O)(=O)Nc1cc(Cl)ccc1C#CCCO.
What is the InChIKey of 4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene?
The InChIKey is PPIKUFKPDHTKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c11-9-5-4-8(3-1-2-6-14)10(7-9)13-17(12,15)16/h4-5,7,13-14H,2,6H2,(H2,12,15,16).
What are the key properties of 4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene?
4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene has a molecular weight of 274.73 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene is sourced from PubChem (CID 114959515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).