N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide

C15H21FN2O2S — CID 106024971

IUPACN-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCC1)c1ccc(F)c(CNC2CC2)c1
InChIInChI=1S/C15H21FN2O2S/c16-15-7-6-14(8-12(15)10-17-13-4-5-13)21(19,20)18-9-11-2-1-3-11/h6-8,11,13,17-18H,1-5,9-10H2
InChIKeyPFTGDYLMBNMHAQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.16
Rot. Bonds7

About N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide

N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide (PubChem CID 106024971) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide
PubChem CID106024971
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC NameN-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCC1)c1ccc(F)c(CNC2CC2)c1
InChIInChI=1S/C15H21FN2O2S/c16-15-7-6-14(8-12(15)10-17-13-4-5-13)21(19,20)18-9-11-2-1-3-11/h6-8,11,13,17-18H,1-5,9-10H2
InChIKeyPFTGDYLMBNMHAQ-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide
CID 106024371
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
CID 106024752
3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030111
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089946
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 172697362
3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005031
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide
CID 106024888

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide (CID 106024971) is N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCC1CCC1)c1ccc(F)c(CNC2CC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is PFTGDYLMBNMHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-15-7-6-14(8-12(15)10-17-13-4-5-13)21(19,20)18-9-11-2-1-3-11/h6-8,11,13,17-18H,1-5,9-10H2.
What are the key properties of N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide?
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 312.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106024971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).