2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide

C9H8Cl2N2O2S — CID 61111383

IUPAC2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2O2S/c1-2-3-13-16(14,15)9-7(11)4-6(10)5-8(9)12/h1,4-5,13H,3,12H2
InChIKeyDZOQVLPGZXZTEL-UHFFFAOYSA-N
MW279.15 g/mol
LogP1.49
Rot. Bonds3

About 2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide

2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide (PubChem CID 61111383) has the molecular formula C9H8Cl2N2O2S and a molecular weight of 279.15 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
PubChem CID61111383
Molecular FormulaC9H8Cl2N2O2S
Molecular Weight279.15 g/mol
Exact Mass277.97
IUPAC Name2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2O2S/c1-2-3-13-16(14,15)9-7(11)4-6(10)5-8(9)12/h1,4-5,13H,3,12H2
InChIKeyDZOQVLPGZXZTEL-UHFFFAOYSA-N
XLogP1.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 43255658
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 43255854
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62636292
4-amino-3-chloro-N-prop-2-ynylbenzenesulfonamide
CID 115329264
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833
2-amino-4,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755747
2-amino-4,6-dichloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80684988
2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83178059
2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248033
2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386798

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide (CID 61111383) is 2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide is C#CCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is DZOQVLPGZXZTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2S/c1-2-3-13-16(14,15)9-7(11)4-6(10)5-8(9)12/h1,4-5,13H,3,12H2.
What are the key properties of 2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide?
2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 279.15 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 61111383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).