2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide

C16H25FN2O3S — CID 110497943

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)C(CC)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O3S/c1-4-11-19(12-5-2)16(20)15(6-3)18-23(21,22)14-9-7-13(17)8-10-14/h7-10,15,18H,4-6,11-12H2,1-3H3
InChIKeyNGZYAJWJMQCVCT-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.53
Rot. Bonds9

About 2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide

2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide (PubChem CID 110497943) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide
PubChem CID110497943
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)C(CC)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O3S/c1-4-11-19(12-5-2)16(20)15(6-3)18-23(21,22)14-9-7-13(17)8-10-14/h7-10,15,18H,4-6,11-12H2,1-3H3
InChIKeyNGZYAJWJMQCVCT-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(4-fluorophenyl)sulfonylamino]butanoyl-methylamino]propanoic acid
CID 110496389
N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide
CID 110497979
(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
CID 95156763
2-[(4-fluorophenyl)sulfonylamino]pentanoate
CID 4282675
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158
N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499174
2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide
CID 50740584
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
2-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]hexanoic acid
CID 110496366
2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
CID 61122063
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide (CID 110497943) is 2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide is CCCN(CCC)C(=O)C(CC)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide?
The InChIKey is NGZYAJWJMQCVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-4-11-19(12-5-2)16(20)15(6-3)18-23(21,22)14-9-7-13(17)8-10-14/h7-10,15,18H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide?
2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide has a molecular weight of 344.45 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide is sourced from PubChem (CID 110497943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).