N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide

C18H31ClN2O2S — CID 19070380

IUPACN-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C18H31ClN2O2S/c1-2-3-4-5-6-7-8-9-10-11-14-24(22,23)21-16-12-13-17(19)18(20)15-16/h12-13,15,21H,2-11,14,20H2,1H3
InChIKeyYCOBGDUBNCINDN-UHFFFAOYSA-N
MW374.98 g/mol
LogP5.58
Rot. Bonds13

About N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide

N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide (PubChem CID 19070380) has the molecular formula C18H31ClN2O2S and a molecular weight of 374.98 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide
PubChem CID19070380
Molecular FormulaC18H31ClN2O2S
Molecular Weight374.98 g/mol
Exact Mass374.18
IUPAC NameN-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C18H31ClN2O2S/c1-2-3-4-5-6-7-8-9-10-11-14-24(22,23)21-16-12-13-17(19)18(20)15-16/h12-13,15,21H,2-11,14,20H2,1H3
InChIKeyYCOBGDUBNCINDN-UHFFFAOYSA-N
XLogP5.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.98
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 22201682
3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide
CID 60910481
N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
CID 154755711
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106059504
trimethyl-[4-(tetradecylsulfonylamino)phenyl]azanium iodide
CID 71524083
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
N-[4-(hydrazinecarbonyl)phenyl]pentane-1-sulfonamide
CID 67849300
N-(3-amino-4-ethylphenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067721

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide (CID 19070380) is N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide is CCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide?
The InChIKey is YCOBGDUBNCINDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN2O2S/c1-2-3-4-5-6-7-8-9-10-11-14-24(22,23)21-16-12-13-17(19)18(20)15-16/h12-13,15,21H,2-11,14,20H2,1H3.
What are the key properties of N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide?
N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide has a molecular weight of 374.98 g/mol, XLogP of 5.58, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide is sourced from PubChem (CID 19070380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).