2-[4-(ethylsulfamoylamino)phenyl]acetonitrile

C10H13N3O2S — CID 114807814

IUPAC2-[4-(ethylsulfamoylamino)phenyl]acetonitrile
SMILESCCNS(=O)(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C10H13N3O2S/c1-2-12-16(14,15)13-10-5-3-9(4-6-10)7-8-11/h3-6,12-13H,2,7H2,1H3
InChIKeyDRVMADXPIDEIDS-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.02
Rot. Bonds5

About 2-[4-(ethylsulfamoylamino)phenyl]acetonitrile

2-[4-(ethylsulfamoylamino)phenyl]acetonitrile (PubChem CID 114807814) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[4-(ethylsulfamoylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(ethylsulfamoylamino)phenyl]acetonitrile
PubChem CID114807814
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[4-(ethylsulfamoylamino)phenyl]acetonitrile
SMILESCCNS(=O)(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C10H13N3O2S/c1-2-12-16(14,15)13-10-5-3-9(4-6-10)7-8-11/h3-6,12-13H,2,7H2,1H3
InChIKeyDRVMADXPIDEIDS-UHFFFAOYSA-N
XLogP1.02
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)phenyl]ethanesulfonamide
CID 3668419
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
4-(ethylsulfamoylamino)phenol
CID 114809076
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide
CID 107651425
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783
2-[4-(3-ethylsulfonylpropylamino)phenyl]acetonitrile
CID 65093265
4-amino-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 62057983
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide
CID 62301362
N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide
CID 62303926
2-[4-(cyanomethylamino)phenyl]acetonitrile
CID 60720877

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylsulfamoylamino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(ethylsulfamoylamino)phenyl]acetonitrile (CID 114807814) is 2-[4-(ethylsulfamoylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(ethylsulfamoylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(ethylsulfamoylamino)phenyl]acetonitrile is CCNS(=O)(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(ethylsulfamoylamino)phenyl]acetonitrile?
The InChIKey is DRVMADXPIDEIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-2-12-16(14,15)13-10-5-3-9(4-6-10)7-8-11/h3-6,12-13H,2,7H2,1H3.
What are the key properties of 2-[4-(ethylsulfamoylamino)phenyl]acetonitrile?
2-[4-(ethylsulfamoylamino)phenyl]acetonitrile has a molecular weight of 239.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylsulfamoylamino)phenyl]acetonitrile is sourced from PubChem (CID 114807814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).