4-butoxy-N-phenylbenzenesulfonamide

C16H19NO3S — CID 3597057

IUPAC4-butoxy-N-phenylbenzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-2-3-13-20-15-9-11-16(12-10-15)21(18,19)17-14-7-5-4-6-8-14/h4-12,17H,2-3,13H2,1H3
InChIKeySGQZBHTYCSUVOP-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.67
Rot. Bonds7

About 4-butoxy-N-phenylbenzenesulfonamide

4-butoxy-N-phenylbenzenesulfonamide (PubChem CID 3597057) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-butoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-phenylbenzenesulfonamide
PubChem CID3597057
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4-butoxy-N-phenylbenzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-2-3-13-20-15-9-11-16(12-10-15)21(18,19)17-14-7-5-4-6-8-14/h4-12,17H,2-3,13H2,1H3
InChIKeySGQZBHTYCSUVOP-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692100
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
4-nitro-N-(4-pentoxyphenyl)benzenesulfonamide
CID 19169192
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-ethyl-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 2223893
4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide
CID 22486758
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
CID 2249987
N-(3,4-dihydroxyphenyl)-4-octadecoxybenzenesulfonamide
CID 71344674
N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide
CID 38579965
N-[4-[(4-butoxyphenyl)methylsulfanyl]phenyl]-4-methylbenzenesulfonamide
CID 141122630

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-phenylbenzenesulfonamide?
The IUPAC name of 4-butoxy-N-phenylbenzenesulfonamide (CID 3597057) is 4-butoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-butoxy-N-phenylbenzenesulfonamide is CCCCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-butoxy-N-phenylbenzenesulfonamide?
The InChIKey is SGQZBHTYCSUVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-3-13-20-15-9-11-16(12-10-15)21(18,19)17-14-7-5-4-6-8-14/h4-12,17H,2-3,13H2,1H3.
What are the key properties of 4-butoxy-N-phenylbenzenesulfonamide?
4-butoxy-N-phenylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3597057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).