N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide

C16H15N3O2S — CID 4986710

IUPACN,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H15N3O2S/c17-10-4-12-19(13-5-11-18)22(20,21)16-9-3-7-14-6-1-2-8-15(14)16/h1-3,6-9H,4-5,12-13H2
InChIKeyDYJQXKNLYDYALE-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.66
Rot. Bonds6

About N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide

N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide (PubChem CID 4986710) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide
PubChem CID4986710
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H15N3O2S/c17-10-4-12-19(13-5-11-18)22(20,21)16-9-3-7-14-6-1-2-8-15(14)16/h1-3,6-9H,4-5,12-13H2
InChIKeyDYJQXKNLYDYALE-UHFFFAOYSA-N
XLogP2.66
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide
CID 115684154
N,N-bis(cyanomethyl)naphthalene-1-sulfonamide
CID 115684138
1-N,1-N,2-N,2-N-tetrakis(3-cyanopropyl)benzene-1,2-disulfonamide
CID 157431931
2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide
CID 65427998
N-butyl-N-(2-chloroethyl)naphthalene-1-sulfonamide
CID 114795610
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
CID 114795839
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570
N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 107493804
3-chloro-N,N-bis(2-cyanoethyl)benzenesulfonamide
CID 3731501
3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide
CID 142683354
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61141132

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide?
The IUPAC name of N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide (CID 4986710) is N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide is N#CCCN(CCC#N)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide?
The InChIKey is DYJQXKNLYDYALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-10-4-12-19(13-5-11-18)22(20,21)16-9-3-7-14-6-1-2-8-15(14)16/h1-3,6-9H,4-5,12-13H2.
What are the key properties of N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide?
N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 4986710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).