N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide

C12H18N2O3S — CID 174389661

IUPACN-[4-[4-(methanesulfonamido)phenyl]butyl]formamide
SMILESCS(=O)(=O)Nc1ccc(CCCCNC=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)14-12-7-5-11(6-8-12)4-2-3-9-13-10-15/h5-8,10,14H,2-4,9H2,1H3,(H,13,15)
InChIKeyDNBDJVPCWYUSQY-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.13
Rot. Bonds8

About N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide

N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide (PubChem CID 174389661) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide.

Molecular Properties

Compound NameN-[4-[4-(methanesulfonamido)phenyl]butyl]formamide
PubChem CID174389661
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[4-[4-(methanesulfonamido)phenyl]butyl]formamide
SMILESCS(=O)(=O)Nc1ccc(CCCCNC=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)14-12-7-5-11(6-8-12)4-2-3-9-13-10-15/h5-8,10,14H,2-4,9H2,1H3,(H,13,15)
InChIKeyDNBDJVPCWYUSQY-UHFFFAOYSA-N
XLogP1.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
CID 23316726
N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide
CID 88730159
1-tert-butyl-3-[3-[4-(methanesulfonamido)phenyl]propyl]urea
CID 110664447
N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide
CID 110417713
N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
CID 70523861
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[4-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)ethyl]phenyl]methanesulfonamide
CID 169437444
N-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methanesulfonamide
CID 159770469
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide?
The IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide (CID 174389661) is N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide.
What is the SMILES notation for N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide?
The canonical SMILES for N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide is CS(=O)(=O)Nc1ccc(CCCCNC=O)cc1.
What is the InChIKey of N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide?
The InChIKey is DNBDJVPCWYUSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(16,17)14-12-7-5-11(6-8-12)4-2-3-9-13-10-15/h5-8,10,14H,2-4,9H2,1H3,(H,13,15).
What are the key properties of N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide?
N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide has a molecular weight of 270.35 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide is sourced from PubChem (CID 174389661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).